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88744-13-2 | Propanedioic acid, [benzoyl(3-methylphenyl)amino]-, diethyl ester
CAS No: 88744-13-2 Catalog No: AG004F5S MDL No:
Product Description
Catalog Number:
AG004F5S
Chemical Name:
Propanedioic acid, [benzoyl(3-methylphenyl)amino]-, diethyl ester
CAS Number:
88744-13-2
Molecular Formula:
C21H23NO5
Molecular Weight:
369.4110
IUPAC Name:
diethyl 2-(N-benzoyl-3-methylanilino)propanedioate
InChI:
InChI=1S/C21H23NO5/c1-4-26-20(24)18(21(25)27-5-2)22(17-13-9-10-15(3)14-17)19(23)16-11-7-6-8-12-16/h6-14,18H,4-5H2,1-3H3
InChI Key:
YNVNUCDVHUGQSG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(N(C(=O)c1ccccc1)c1cccc(c1)C)C(=O)OCC
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.158g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.417g/mol
Monoisotopic Mass:
369.158g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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