3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride

C20H27ClN2O2 — CID 120611894

IUPAC3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride
SMILESCC(O)CC(CNC(=O)CCc1ccccc1N)c1ccccc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-15(23)13-18(16-7-3-2-4-8-16)14-22-20(24)12-11-17-9-5-6-10-19(17)21;/h2-10,15,18,23H,11-14,21H2,1H3,(H,22,24);1H
InChIKeyRUUASKBJFWYXAS-UHFFFAOYSA-N
MW362.90 g/mol
LogP3.29
Rot. Bonds8

About 3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride

3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride (PubChem CID 120611894) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride
PubChem CID120611894
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride
SMILESCC(O)CC(CNC(=O)CCc1ccccc1N)c1ccccc1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-15(23)13-18(16-7-3-2-4-8-16)14-22-20(24)12-11-17-9-5-6-10-19(17)21;/h2-10,15,18,23H,11-14,21H2,1H3,(H,22,24);1H
InChIKeyRUUASKBJFWYXAS-UHFFFAOYSA-N
XLogP3.29
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 53.29
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

4-amino-N-(4-hydroxy-2-phenylpentyl)pentanamide
CID 120564094
(2S)-3-[3-(2-aminophenyl)propanoylamino]-2-hydroxypropanoic acid
CID 107835782
N-(4-hydroxy-2-phenylpentyl)-4-(methylamino)butanamide;hydrochloride
CID 119821967
3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 120610983
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
CID 120610292
3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride
CID 120610920
2-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylpropanamide;hydrochloride
CID 119345419
3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride
CID 120612631
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide
CID 120610293
3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide
CID 120611754
2-amino-N-(4-hydroxy-2-phenylpentyl)pentanamide;hydrochloride
CID 119345437
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-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride (CID 120611894) is 3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride is CC(O)CC(CNC(=O)CCc1ccccc1N)c1ccccc1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride?
The InChIKey is RUUASKBJFWYXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-15(23)13-18(16-7-3-2-4-8-16)14-22-20(24)12-11-17-9-5-6-10-19(17)21;/h2-10,15,18,23H,11-14,21H2,1H3,(H,22,24);1H.
What are the key properties of 3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride?
3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 3.29, 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-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride is sourced from PubChem (CID 120611894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).