N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C28H29N3O5 — CID 17120416

IUPACN-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)CC1=O
InChIInChI=1S/C28H29N3O5/c1-4-18-10-8-9-13-23(18)31-17-20(14-26(31)32)28(34)30-22-16-24(35-2)21(15-25(22)36-3)29-27(33)19-11-6-5-7-12-19/h5-13,15-16,20H,4,14,17H2,1-3H3,(H,29,33)(H,30,34)
InChIKeyZLLWWLGHJRQKML-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.51
Rot. Bonds8

About N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17120416) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17120416
Molecular FormulaC28H29N3O5
Molecular Weight487.56 g/mol
Exact Mass487.21
IUPAC NameN-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccccc1N1CC(C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)CC1=O
InChIInChI=1S/C28H29N3O5/c1-4-18-10-8-9-13-23(18)31-17-20(14-26(31)32)28(34)30-22-16-24(35-2)21(15-25(22)36-3)29-27(33)19-11-6-5-7-12-19/h5-13,15-16,20H,4,14,17H2,1-3H3,(H,29,33)(H,30,34)
InChIKeyZLLWWLGHJRQKML-UHFFFAOYSA-N
XLogP4.51
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41031971
(3R)-1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004579
(3S)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42588888
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
N-[4-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17153604
(3R)-N-(4-bromo-2-ethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004583
(3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004578
N-[2-(ethylaminomethyl)phenyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119440714
N-(4-chloro-2,5-dimethoxyphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42999548
(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
methyl 4-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 26098178
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 17120416) is N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccccc1N1CC(C(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)CC1=O.
What is the InChIKey of N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZLLWWLGHJRQKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5/c1-4-18-10-8-9-13-23(18)31-17-20(14-26(31)32)28(34)30-22-16-24(35-2)21(15-25(22)36-3)29-27(33)19-11-6-5-7-12-19/h5-13,15-16,20H,4,14,17H2,1-3H3,(H,29,33)(H,30,34).
What are the key properties of N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamido-2,5-dimethoxyphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17120416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).