Basic information
- Name:
N-(2-Ethoxyphenyl)-N-(4-isododecylphenyl)oxamide
- CAS No.:
82493-14-9
- Molecular Structure:
- Formula:
- C28H40N2O3
- Molecular Weight:
- 452.6288
- Synonyms:
- Sanduvor 3206;Oxalanilid 3206;Ethanediamide,N-(2-ethoxyphenyl)-N'-(4- isododecylphenyl)-;Ethanediamide, N-(2-ethoxyphenyl)-N-(4-isododecylphenyl)-;
- EINECS:
- 279-979-3
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Specification
The N-(2-Ethoxyphenyl)-N-(4-isododecylphenyl)oxamide, with the CAS registry number 82493-14-9, is also known as N-(2-Ethoxyphenyl)-N'-(4-isododecylphenyl)oxamide. Its EINECS registry number is 279-979-3. This chemical's molecular formula is C28H40N2O3 and molecular weight is 452.6288. What's more, its IUPAC name is called N'-(2-Ethoxyphenyl)-N-[4-(10-methylundecyl)phenyl]oxamide.
Properties Computed from Structure about N-(2-Ethoxyphenyl)-N-(4-isododecylphenyl)oxamide are: (1)XLogP3-AA 8.6; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 14; (5)Tautomer Count: 4; (6)Exact Mass: 452.303893; (7)MonoIsotopic Mass: 452.303893; (8)Topological Polar Surface Area: 67.4; (9)Heavy Atom Count: 33; (10)Formal Charge: 0; (11)Complexity: 543; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 0; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0; (17)Covalently-Bonded Unit Count: 1.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC1=CC=CC=C1NC(=O)C(=O)NC2=CC=C(C=C2)CCCCCCCCCC(C)C
(2) InChI: InChI=1S/C28H40N2O3/c1-4-33-26-17-13-12-16-25(26)30-28(32)27(31)29-24-
20-18-23(19-21-24)15-11-9-7-5-6-8-10-14-22(2)3/h12-13,16-22H,4-11,
14-15H2,1-3H3,(H,29,31)(H,30,32)
(3) InChIKey: PIPJHDJQUXGVNR-UHFFFAOYSA-N