N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride

C14H23ClN2O2 — CID 119498019

IUPACN-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(CCC(=O)NCCC(C)N)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-11(15)9-10-16-14(17)8-5-12-3-6-13(18-2)7-4-12;/h3-4,6-7,11H,5,8-10,15H2,1-2H3,(H,16,17);1H
InChIKeyQXRDOGWUFCSLOU-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.90
Rot. Bonds7

About N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride

N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride (PubChem CID 119498019) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
PubChem CID119498019
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC NameN-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(CCC(=O)NCCC(C)N)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-11(15)9-10-16-14(17)8-5-12-3-6-13(18-2)7-4-12;/h3-4,6-7,11H,5,8-10,15H2,1-2H3,(H,16,17);1H
InChIKeyQXRDOGWUFCSLOU-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;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-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119496458
4-amino-N-[3-(4-methoxyphenyl)propyl]pentanamide
CID 120560980
N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119497823
N-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119498486
N-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 106153300
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
5-[3-(4-methoxyphenyl)propanoylamino]-2-methylpentanoic acid
CID 104682662
N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119496713
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide
CID 66106188
N-[2-[di(propan-2-yl)amino]ethyl]-3-(4-methoxyphenyl)propanamide
CID 78798639
5-(4-methoxyphenyl)-N-(3-methylbutyl)pentanamide
CID 110297852
2-(3-aminobutylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 66233283

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride (CID 119498019) is N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride is COc1ccc(CCC(=O)NCCC(C)N)cc1.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride?
The InChIKey is QXRDOGWUFCSLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-11(15)9-10-16-14(17)8-5-12-3-6-13(18-2)7-4-12;/h3-4,6-7,11H,5,8-10,15H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride?
N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119498019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).