1-[2-(azepan-1-yl)ethyl]-N-butan-2-yl-2-methyl-5-oxopyrrolidine-2-carboxamide

C18H33N3O2 — CID 4550255

IUPAC1-[2-(azepan-1-yl)ethyl]-N-butan-2-yl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCC(C)NC(=O)C1(C)CCC(=O)N1CCN1CCCCCC1
InChIInChI=1S/C18H33N3O2/c1-4-15(2)19-17(23)18(3)10-9-16(22)21(18)14-13-20-11-7-5-6-8-12-20/h15H,4-14H2,1-3H3,(H,19,23)
InChIKeyNRMDNEKEZMZWMO-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.16
Rot. Bonds6

About 1-[2-(azepan-1-yl)ethyl]-N-butan-2-yl-2-methyl-5-oxopyrrolidine-2-carboxamide

1-[2-(azepan-1-yl)ethyl]-N-butan-2-yl-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 4550255) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)ethyl]-N-butan-2-yl-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)ethyl]-N-butan-2-yl-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID4550255
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name1-[2-(azepan-1-yl)ethyl]-N-butan-2-yl-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCC(C)NC(=O)C1(C)CCC(=O)N1CCN1CCCCCC1
InChIInChI=1S/C18H33N3O2/c1-4-15(2)19-17(23)18(3)10-9-16(22)21(18)14-13-20-11-7-5-6-8-12-20/h15H,4-14H2,1-3H3,(H,19,23)
InChIKeyNRMDNEKEZMZWMO-UHFFFAOYSA-N
XLogP2.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(azepan-1-yl)ethyl]-N-butan-2-yl-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 1-[2-(azepan-1-yl)ethyl]-N-butan-2-yl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(azepan-1-yl)ethyl]-N-butan-2-yl-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 4550255) is 1-[2-(azepan-1-yl)ethyl]-N-butan-2-yl-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(azepan-1-yl)ethyl]-N-butan-2-yl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(azepan-1-yl)ethyl]-N-butan-2-yl-2-methyl-5-oxopyrrolidine-2-carboxamide is CCC(C)NC(=O)C1(C)CCC(=O)N1CCN1CCCCCC1.
What is the InChIKey of 1-[2-(azepan-1-yl)ethyl]-N-butan-2-yl-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is NRMDNEKEZMZWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-4-15(2)19-17(23)18(3)10-9-16(22)21(18)14-13-20-11-7-5-6-8-12-20/h15H,4-14H2,1-3H3,(H,19,23).
What are the key properties of 1-[2-(azepan-1-yl)ethyl]-N-butan-2-yl-2-methyl-5-oxopyrrolidine-2-carboxamide?
1-[2-(azepan-1-yl)ethyl]-N-butan-2-yl-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)ethyl]-N-butan-2-yl-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 4550255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).