1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide

C18H24N2O3 — CID 113188805

IUPAC1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
SMILESCCCCCNC(=O)C1CC(=O)N(c2cccc(C(C)=O)c2)C1
InChIInChI=1S/C18H24N2O3/c1-3-4-5-9-19-18(23)15-11-17(22)20(12-15)16-8-6-7-14(10-16)13(2)21/h6-8,10,15H,3-5,9,11-12H2,1-2H3,(H,19,23)
InChIKeyXMKISYMNTZIUFW-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.55
Rot. Bonds7

About 1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide

1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide (PubChem CID 113188805) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
PubChem CID113188805
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
SMILESCCCCCNC(=O)C1CC(=O)N(c2cccc(C(C)=O)c2)C1
InChIInChI=1S/C18H24N2O3/c1-3-4-5-9-19-18(23)15-11-17(22)20(12-15)16-8-6-7-14(10-16)13(2)21/h6-8,10,15H,3-5,9,11-12H2,1-2H3,(H,19,23)
InChIKeyXMKISYMNTZIUFW-UHFFFAOYSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-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-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46556786
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 9351944
1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113191264
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
1-(1,3-benzodioxol-5-yl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 84503542
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 84503378
1-(3-acetamidophenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113189009
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586062
N-[3-(dimethylamino)propyl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120540
(3R)-N-[3-(diethylamino)propyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9376315

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide (CID 113188805) is 1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide is CCCCCNC(=O)C1CC(=O)N(c2cccc(C(C)=O)c2)C1.
What is the InChIKey of 1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
The InChIKey is XMKISYMNTZIUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-4-5-9-19-18(23)15-11-17(22)20(12-15)16-8-6-7-14(10-16)13(2)21/h6-8,10,15H,3-5,9,11-12H2,1-2H3,(H,19,23).
What are the key properties of 1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide?
1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113188805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).