N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide

C17H31N3O2 — CID 110279144

IUPACN-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCN(C)CC1CCCCC1NC(=O)CCC(=O)N1CCCC1
InChIInChI=1S/C17H31N3O2/c1-19(2)13-14-7-3-4-8-15(14)18-16(21)9-10-17(22)20-11-5-6-12-20/h14-15H,3-13H2,1-2H3,(H,18,21)
InChIKeyDSQNIISKZNAAAZ-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.63
Rot. Bonds6

About N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide

N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 110279144) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
PubChem CID110279144
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCN(C)CC1CCCCC1NC(=O)CCC(=O)N1CCCC1
InChIInChI=1S/C17H31N3O2/c1-19(2)13-14-7-3-4-8-15(14)18-16(21)9-10-17(22)20-11-5-6-12-20/h14-15H,3-13H2,1-2H3,(H,18,21)
InChIKeyDSQNIISKZNAAAZ-UHFFFAOYSA-N
XLogP1.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide 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-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 110279144) is N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide is CN(C)CC1CCCCC1NC(=O)CCC(=O)N1CCCC1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
The InChIKey is DSQNIISKZNAAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-19(2)13-14-7-3-4-8-15(14)18-16(21)9-10-17(22)20-11-5-6-12-20/h14-15H,3-13H2,1-2H3,(H,18,21).
What are the key properties of N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide?
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide has a molecular weight of 309.45 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]cyclohexyl]-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 110279144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).