N-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C27H27N3O3 — CID 17082104

IUPACN-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C27H27N3O3/c1-2-19-12-14-22(15-13-19)30-18-21(16-25(30)31)26(32)29-24-11-7-6-10-23(24)27(33)28-17-20-8-4-3-5-9-20/h3-15,21H,2,16-18H2,1H3,(H,28,33)(H,29,32)
InChIKeyCUYBTMTXMSDDQS-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.17
Rot. Bonds7

About N-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17082104) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17082104
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1ccc(N2CC(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C27H27N3O3/c1-2-19-12-14-22(15-13-19)30-18-21(16-25(30)31)26(32)29-24-11-7-6-10-23(24)27(33)28-17-20-8-4-3-5-9-20/h3-15,21H,2,16-18H2,1H3,(H,28,33)(H,29,32)
InChIKeyCUYBTMTXMSDDQS-UHFFFAOYSA-N
XLogP4.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(benzylcarbamoyl)phenyl]-1-(4-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-[2-(benzylcarbamoyl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1006938
(3S)-N-[2-(butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9390142
(3R)-1-(4-ethylphenyl)-5-oxo-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40715027
(3S)-1-(4-ethylphenyl)-5-oxo-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 40715031
(3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26905657
N-[2-(tert-butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082103
(3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9390159
(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 992778
(3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102168
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
1-(4-ethoxyphenyl)-5-oxo-N-[2-(2-phenylethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 2955877
(3S)-1-(4-bromophenyl)-5-oxo-N-[2-(propylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 34751808

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 17082104) is N-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1ccc(N2CC(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)CC2=O)cc1.
What is the InChIKey of N-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CUYBTMTXMSDDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-2-19-12-14-22(15-13-19)30-18-21(16-25(30)31)26(32)29-24-11-7-6-10-23(24)27(33)28-17-20-8-4-3-5-9-20/h3-15,21H,2,16-18H2,1H3,(H,28,33)(H,29,32).
What are the key properties of N-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylcarbamoyl)phenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17082104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).