N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide

C19H26N2O2 — CID 3663590

IUPACN-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C19H26N2O2/c22-18-12-16(14-21(18)17-10-6-1-2-7-11-17)19(23)20-13-15-8-4-3-5-9-15/h3-5,8-9,16-17H,1-2,6-7,10-14H2,(H,20,23)
InChIKeyAGKVVDXWBHXMMZ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.87
Rot. Bonds4

About N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide

N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 3663590) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
PubChem CID3663590
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)C1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C19H26N2O2/c22-18-12-16(14-21(18)17-10-6-1-2-7-11-17)19(23)20-13-15-8-4-3-5-9-15/h3-5,8-9,16-17H,1-2,6-7,10-14H2,(H,20,23)
InChIKeyAGKVVDXWBHXMMZ-UHFFFAOYSA-N
XLogP2.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-1-cycloheptyl-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-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide (CID 3663590) is N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccccc1)C1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AGKVVDXWBHXMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-18-12-16(14-21(18)17-10-6-1-2-7-11-17)19(23)20-13-15-8-4-3-5-9-15/h3-5,8-9,16-17H,1-2,6-7,10-14H2,(H,20,23).
What are the key properties of N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide?
N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3663590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).