3-hydroxy-2-[3-(4-methylphenyl)propylamino]propanamide;hydrochloride

C13H21ClN2O2 — CID 23302048

IUPAC3-hydroxy-2-[3-(4-methylphenyl)propylamino]propanamide;hydrochloride
SMILESCc1ccc(CCCNC(CO)C(N)=O)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-10-4-6-11(7-5-10)3-2-8-15-12(9-16)13(14)17;/h4-7,12,15-16H,2-3,8-9H2,1H3,(H2,14,17);1H
InChIKeyHLJVAGPMWRWRBE-UHFFFAOYSA-N
MW272.78 g/mol
LogP0.79
Rot. Bonds7

About 3-hydroxy-2-[3-(4-methylphenyl)propylamino]propanamide;hydrochloride

3-hydroxy-2-[3-(4-methylphenyl)propylamino]propanamide;hydrochloride (PubChem CID 23302048) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-hydroxy-2-[3-(4-methylphenyl)propylamino]propanamide;hydrochloride.

Molecular Properties

Compound Name3-hydroxy-2-[3-(4-methylphenyl)propylamino]propanamide;hydrochloride
PubChem CID23302048
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name3-hydroxy-2-[3-(4-methylphenyl)propylamino]propanamide;hydrochloride
SMILESCc1ccc(CCCNC(CO)C(N)=O)cc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-10-4-6-11(7-5-10)3-2-8-15-12(9-16)13(14)17;/h4-7,12,15-16H,2-3,8-9H2,1H3,(H2,14,17);1H
InChIKeyHLJVAGPMWRWRBE-UHFFFAOYSA-N
XLogP0.79
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-hydroxy-2-[3-(4-methylphenyl)propylamino]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

(2S)-2-[2-(4-chlorophenyl)ethylamino]-3-hydroxypropanamide;hydrochloride
CID 67666969
methyl 3-hydroxy-2-(3-phenylpropylamino)propanoate
CID 15193085
(2S)-2-[3-(4-hydroxyphenyl)propylamino]propanamide
CID 156702322
2-methyl-N-[3-(4-methylphenyl)propyl]propanamide
CID 56920541
2-(methylamino)-3-(4-methylphenyl)propanamide
CID 59568547
2-amino-3-hydroxy-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180033
tert-butyl N-[3-(4-methylphenyl)propyl]carbamate
CID 142219168
6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308626
N-methyl-3-(4-methylphenyl)propan-1-amine
CID 10953856
(2R)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326879
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326870
2-amino-N'-[4-(4-methylphenyl)butanoyl]heptanediamide
CID 168749198

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[3-(4-methylphenyl)propylamino]propanamide;hydrochloride?
The IUPAC name of 3-hydroxy-2-[3-(4-methylphenyl)propylamino]propanamide;hydrochloride (CID 23302048) is 3-hydroxy-2-[3-(4-methylphenyl)propylamino]propanamide;hydrochloride.
What is the SMILES notation for 3-hydroxy-2-[3-(4-methylphenyl)propylamino]propanamide;hydrochloride?
The canonical SMILES for 3-hydroxy-2-[3-(4-methylphenyl)propylamino]propanamide;hydrochloride is Cc1ccc(CCCNC(CO)C(N)=O)cc1.Cl.
What is the InChIKey of 3-hydroxy-2-[3-(4-methylphenyl)propylamino]propanamide;hydrochloride?
The InChIKey is HLJVAGPMWRWRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-10-4-6-11(7-5-10)3-2-8-15-12(9-16)13(14)17;/h4-7,12,15-16H,2-3,8-9H2,1H3,(H2,14,17);1H.
What are the key properties of 3-hydroxy-2-[3-(4-methylphenyl)propylamino]propanamide;hydrochloride?
3-hydroxy-2-[3-(4-methylphenyl)propylamino]propanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[3-(4-methylphenyl)propylamino]propanamide;hydrochloride is sourced from PubChem (CID 23302048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).