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183478-41-3 | Ethanediamide, N,N''-1,2-phenylenebis[N'-(4-phenylbutyl)- (9CI)
CAS No: 183478-41-3 Catalog No: AG0027MC MDL No:
Product Description
Catalog Number:
AG0027MC
Chemical Name:
Ethanediamide, N,N''-1,2-phenylenebis[N'-(4-phenylbutyl)- (9CI)
CAS Number:
183478-41-3
Molecular Formula:
C30H34N4O4
Molecular Weight:
514.6154
IUPAC Name:
N'-[2-[[2-oxo-2-(4-phenylbutylamino)acetyl]amino]phenyl]-N-(4-phenylbutyl)oxamide
InChI:
InChI=1S/C30H34N4O4/c35-27(31-21-11-9-17-23-13-3-1-4-14-23)29(37)33-25-19-7-8-20-26(25)34-30(38)28(36)32-22-12-10-18-24-15-5-2-6-16-24/h1-8,13-16,19-20H,9-12,17-18,21-22H2,(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChI Key:
DDGQMTNSHMLVQQ-UHFFFAOYSA-N
SMILES:
O=C(C(=O)NCCCCc1ccccc1)Nc1ccccc1NC(=O)C(=O)NCCCCc1ccccc1
Properties
Complexity:
685
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
514.258g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
514.626g/mol
Monoisotopic Mass:
514.258g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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