N-butyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C18H26N2O2 — CID 3258822

IUPACN-butyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(CCc2ccc(C)cc2)C1
InChIInChI=1S/C18H26N2O2/c1-3-4-10-19-18(22)16-12-17(21)20(13-16)11-9-15-7-5-14(2)6-8-15/h5-8,16H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyOCXMAUYZNGJXRB-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.30
Rot. Bonds7

About N-butyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

N-butyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 3258822) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-butyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID3258822
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-butyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(CCc2ccc(C)cc2)C1
InChIInChI=1S/C18H26N2O2/c1-3-4-10-19-18(22)16-12-17(21)20(13-16)11-9-15-7-5-14(2)6-8-15/h5-8,16H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyOCXMAUYZNGJXRB-UHFFFAOYSA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-1-[2-(4-methylphenyl)ethyl]-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

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 3258822) is N-butyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCCCNC(=O)C1CC(=O)N(CCc2ccc(C)cc2)C1.
What is the InChIKey of N-butyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OCXMAUYZNGJXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-4-10-19-18(22)16-12-17(21)20(13-16)11-9-15-7-5-14(2)6-8-15/h5-8,16H,3-4,9-13H2,1-2H3,(H,19,22).
What are the key properties of N-butyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-butyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3258822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).