N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide

C21H22N4O4 — CID 17120079

IUPACN-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(N2CC(C(=O)Nc3cccc(NC(C)=O)c3)CC2=O)cc1
InChIInChI=1S/C21H22N4O4/c1-13(26)22-16-6-8-19(9-7-16)25-12-15(10-20(25)28)21(29)24-18-5-3-4-17(11-18)23-14(2)27/h3-9,11,15H,10,12H2,1-2H3,(H,22,26)(H,23,27)(H,24,29)
InChIKeySGGHCHHPOJWJEJ-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.60
Rot. Bonds5

About N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide

N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17120079) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17120079
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(N2CC(C(=O)Nc3cccc(NC(C)=O)c3)CC2=O)cc1
InChIInChI=1S/C21H22N4O4/c1-13(26)22-16-6-8-19(9-7-16)25-12-15(10-20(25)28)21(29)24-18-5-3-4-17(11-18)23-14(2)27/h3-9,11,15H,10,12H2,1-2H3,(H,22,26)(H,23,27)(H,24,29)
InChIKeySGGHCHHPOJWJEJ-UHFFFAOYSA-N
XLogP2.60
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-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

N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
(3S)-N-(3-acetamidophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438889
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585
N-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080885
(3R)-1-(3-acetamidophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92726984
N-(4-acetamidophenyl)-1-(3-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578437
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 878925
(3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727107
N-(3-acetamidophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946699
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220413

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide (CID 17120079) is N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1ccc(N2CC(C(=O)Nc3cccc(NC(C)=O)c3)CC2=O)cc1.
What is the InChIKey of N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SGGHCHHPOJWJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-13(26)22-16-6-8-19(9-7-16)25-12-15(10-20(25)28)21(29)24-18-5-3-4-17(11-18)23-14(2)27/h3-9,11,15H,10,12H2,1-2H3,(H,22,26)(H,23,27)(H,24,29).
What are the key properties of N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17120079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).