N-[3-[benzyl(methyl)amino]propyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C25H33N3O2 — CID 3238702

IUPACN-[3-[benzyl(methyl)amino]propyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CCN2CC(C(=O)NCCCN(C)Cc3ccccc3)CC2=O)cc1
InChIInChI=1S/C25H33N3O2/c1-20-9-11-21(12-10-20)13-16-28-19-23(17-24(28)29)25(30)26-14-6-15-27(2)18-22-7-4-3-5-8-22/h3-5,7-12,23H,6,13-19H2,1-2H3,(H,26,30)
InChIKeyOWTGVWTZHGSJEY-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.02
Rot. Bonds10

About N-[3-[benzyl(methyl)amino]propyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

N-[3-[benzyl(methyl)amino]propyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 3238702) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID3238702
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CCN2CC(C(=O)NCCCN(C)Cc3ccccc3)CC2=O)cc1
InChIInChI=1S/C25H33N3O2/c1-20-9-11-21(12-10-20)13-16-28-19-23(17-24(28)29)25(30)26-14-6-15-27(2)18-22-7-4-3-5-8-22/h3-5,7-12,23H,6,13-19H2,1-2H3,(H,26,30)
InChIKeyOWTGVWTZHGSJEY-UHFFFAOYSA-N
XLogP3.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[benzyl(methyl)amino]propyl]-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-[3-[benzyl(methyl)amino]propyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 3238702) is N-[3-[benzyl(methyl)amino]propyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CCN2CC(C(=O)NCCCN(C)Cc3ccccc3)CC2=O)cc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OWTGVWTZHGSJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-20-9-11-21(12-10-20)13-16-28-19-23(17-24(28)29)25(30)26-14-6-15-27(2)18-22-7-4-3-5-8-22/h3-5,7-12,23H,6,13-19H2,1-2H3,(H,26,30).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-[3-[benzyl(methyl)amino]propyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 3.02, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3238702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).