3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride

C15H25ClN2O2 — CID 120610920

IUPAC3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride
SMILESCCC(CCO)CNC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-2-12(9-10-18)11-17-15(19)8-7-13-5-3-4-6-14(13)16;/h3-6,12,18H,2,7-11,16H2,1H3,(H,17,19);1H
InChIKeyFGKFVFDEIYVTHS-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.15
Rot. Bonds8

About 3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride

3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride (PubChem CID 120610920) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride
PubChem CID120610920
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride
SMILESCCC(CCO)CNC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-2-12(9-10-18)11-17-15(19)8-7-13-5-3-4-6-14(13)16;/h3-6,12,18H,2,7-11,16H2,1H3,(H,17,19);1H
InChIKeyFGKFVFDEIYVTHS-UHFFFAOYSA-N
XLogP2.15
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide
CID 120611754
(2S)-3-[3-(2-aminophenyl)propanoylamino]-2-hydroxypropanoic acid
CID 107835782
3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride
CID 120611896
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
CID 120610292
N-[(2R)-2-ethylhexyl]-3-(2-fluorophenyl)propanamide
CID 100546563
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride
CID 120611894
3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide
CID 107273243
N-[2-(2-hydroxyethyl)pentyl]-3-phenylpropanamide
CID 103722786
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide
CID 120610293
3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 106161001
3-(2-aminophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]propanamide;dihydrochloride
CID 120612427

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride (CID 120610920) is 3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride is CCC(CCO)CNC(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride?
The InChIKey is FGKFVFDEIYVTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-2-12(9-10-18)11-17-15(19)8-7-13-5-3-4-6-14(13)16;/h3-6,12,18H,2,7-11,16H2,1H3,(H,17,19);1H.
What are the key properties of 3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride is sourced from PubChem (CID 120610920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).