1-ethyl-4-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-2-carboxamide

C21H27N3O2 — CID 53147827

IUPAC1-ethyl-4-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-2-carboxamide
SMILESCCn1cc(-c2ccc(C)cc2)cc1C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C21H27N3O2/c1-3-23-15-18(17-9-7-16(2)8-10-17)14-19(23)21(26)22-11-5-13-24-12-4-6-20(24)25/h7-10,14-15H,3-6,11-13H2,1-2H3,(H,22,26)
InChIKeyRDDSYLAJEUFZKJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.23
Rot. Bonds7

About 1-ethyl-4-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-2-carboxamide

1-ethyl-4-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-2-carboxamide (PubChem CID 53147827) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-ethyl-4-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-2-carboxamide
PubChem CID53147827
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-ethyl-4-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-2-carboxamide
SMILESCCn1cc(-c2ccc(C)cc2)cc1C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C21H27N3O2/c1-3-23-15-18(17-9-7-16(2)8-10-17)14-19(23)21(26)22-11-5-13-24-12-4-6-20(24)25/h7-10,14-15H,3-6,11-13H2,1-2H3,(H,22,26)
InChIKeyRDDSYLAJEUFZKJ-UHFFFAOYSA-N
XLogP3.23
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-ethyl-4-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-2-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-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 24982065
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide
CID 2225281
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 30482177
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 35499280
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,5-bis(trifluoromethyl)benzamide
CID 78777407
2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 20968345
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 30482762
4-(4-ethylphenyl)-N-[2-[hydroxy-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]amino]ethyl]benzamide
CID 59697900

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-4-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-2-carboxamide (CID 53147827) is 1-ethyl-4-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-4-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-4-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-2-carboxamide is CCn1cc(-c2ccc(C)cc2)cc1C(=O)NCCCN1CCCC1=O.
What is the InChIKey of 1-ethyl-4-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-2-carboxamide?
The InChIKey is RDDSYLAJEUFZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-23-15-18(17-9-7-16(2)8-10-17)14-19(23)21(26)22-11-5-13-24-12-4-6-20(24)25/h7-10,14-15H,3-6,11-13H2,1-2H3,(H,22,26).
What are the key properties of 1-ethyl-4-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-2-carboxamide?
1-ethyl-4-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-2-carboxamide is sourced from PubChem (CID 53147827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).