N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride

C15H22ClN3O2 — CID 119496776

IUPACN-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cccc(N2CCCC2=O)c1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-11(16)7-8-17-15(20)12-4-2-5-13(10-12)18-9-3-6-14(18)19;/h2,4-5,10-11H,3,6-9,16H2,1H3,(H,17,20);1H
InChIKeyIZORAIOMVZWDOD-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.70
Rot. Bonds5

About N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride

N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride (PubChem CID 119496776) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
PubChem CID119496776
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cccc(N2CCCC2=O)c1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-11(16)7-8-17-15(20)12-4-2-5-13(10-12)18-9-3-6-14(18)19;/h2,4-5,10-11H,3,6-9,16H2,1H3,(H,17,20);1H
InChIKeyIZORAIOMVZWDOD-UHFFFAOYSA-N
XLogP1.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
N-(3-aminobutyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119496961
N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174646
N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119548405
N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 94476724
3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide
CID 91545272
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55705699
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 109381238
4-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 120560369
3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 3561777
N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46414391

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride (CID 119496776) is N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride is CC(N)CCNC(=O)c1cccc(N2CCCC2=O)c1.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride?
The InChIKey is IZORAIOMVZWDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-11(16)7-8-17-15(20)12-4-2-5-13(10-12)18-9-3-6-14(18)19;/h2,4-5,10-11H,3,6-9,16H2,1H3,(H,17,20);1H.
What are the key properties of N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride?
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119496776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).