N-cycloheptyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

C21H30N2O3 — CID 3242227

IUPACN-cycloheptyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(CN2C(=O)CCC2(C)C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C21H30N2O3/c1-21(20(25)22-17-7-5-3-4-6-8-17)14-13-19(24)23(21)15-16-9-11-18(26-2)12-10-16/h9-12,17H,3-8,13-15H2,1-2H3,(H,22,25)
InChIKeyTZKGHNGKSVOVAF-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.42
Rot. Bonds5

About N-cycloheptyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

N-cycloheptyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 3242227) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-cycloheptyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID3242227
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN-cycloheptyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(CN2C(=O)CCC2(C)C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C21H30N2O3/c1-21(20(25)22-17-7-5-3-4-6-8-17)14-13-19(24)23(21)15-16-9-11-18(26-2)12-10-16/h9-12,17H,3-8,13-15H2,1-2H3,(H,22,25)
InChIKeyTZKGHNGKSVOVAF-UHFFFAOYSA-N
XLogP3.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cycloheptyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-cycloheptyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 3242227) is N-cycloheptyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is COc1ccc(CN2C(=O)CCC2(C)C(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is TZKGHNGKSVOVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-21(20(25)22-17-7-5-3-4-6-8-17)14-13-19(24)23(21)15-16-9-11-18(26-2)12-10-16/h9-12,17H,3-8,13-15H2,1-2H3,(H,22,25).
What are the key properties of N-cycloheptyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
N-cycloheptyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3242227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).