2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride

C13H19ClN2O2 — CID 119429539

IUPAC2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
SMILESCNCCCNC(=O)c1ccccc1C(C)=O.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-10(16)11-6-3-4-7-12(11)13(17)15-9-5-8-14-2;/h3-4,6-7,14H,5,8-9H2,1-2H3,(H,15,17);1H
InChIKeyXIHOIXQJHWZOTN-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.65
Rot. Bonds6

About 2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride

2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride (PubChem CID 119429539) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
PubChem CID119429539
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
SMILESCNCCCNC(=O)c1ccccc1C(C)=O.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-10(16)11-6-3-4-7-12(11)13(17)15-9-5-8-14-2;/h3-4,6-7,14H,5,8-9H2,1-2H3,(H,15,17);1H
InChIKeyXIHOIXQJHWZOTN-UHFFFAOYSA-N
XLogP1.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-acetyl-N-[3-(methylamino)propyl]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

2-acetyl-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119504668
N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 43600703
2-acetylbenzohydrazide;hydrochloride
CID 175815383
N-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide
CID 119431897
2,3-difluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119504020
N-[3-(methylamino)propyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide;hydrochloride
CID 119430064
2-methyl-N-[3-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 119429882
N-[3-(methylamino)propyl]-1-benzothiophene-3-carboxamide
CID 55012748
2-[2-(dimethylamino)ethoxy]-N-[3-(methylamino)propyl]benzamide
CID 119431025
2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide
CID 119430354
N-(3-acetamidopropyl)-2-iodobenzamide
CID 38450093
4-methoxy-N-[3-(methylamino)propyl]naphthalene-1-carboxamide
CID 119431564

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride (CID 119429539) is 2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride is CNCCCNC(=O)c1ccccc1C(C)=O.Cl.
What is the InChIKey of 2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride?
The InChIKey is XIHOIXQJHWZOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-10(16)11-6-3-4-7-12(11)13(17)15-9-5-8-14-2;/h3-4,6-7,14H,5,8-9H2,1-2H3,(H,15,17);1H.
What are the key properties of 2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride?
2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-[3-(methylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 119429539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).