3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide

C17H28N2O2 — CID 120611754

IUPAC3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide
SMILESCC(C)CC(CCO)CNC(=O)CCc1ccccc1N
InChIInChI=1S/C17H28N2O2/c1-13(2)11-14(9-10-20)12-19-17(21)8-7-15-5-3-4-6-16(15)18/h3-6,13-14,20H,7-12,18H2,1-2H3,(H,19,21)
InChIKeyHEVWURJCLFABOM-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.36
Rot. Bonds9

About 3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide

3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide (PubChem CID 120611754) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide
PubChem CID120611754
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide
SMILESCC(C)CC(CCO)CNC(=O)CCc1ccccc1N
InChIInChI=1S/C17H28N2O2/c1-13(2)11-14(9-10-20)12-19-17(21)8-7-15-5-3-4-6-16(15)18/h3-6,13-14,20H,7-12,18H2,1-2H3,(H,19,21)
InChIKeyHEVWURJCLFABOM-UHFFFAOYSA-N
XLogP2.36
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.36
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-ethyl-4-hydroxybutyl)propanamide;hydrochloride
CID 120610920
3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide
CID 107273243
3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 107272981
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide
CID 120610293
(2S)-3-[3-(2-aminophenyl)propanoylamino]-2-hydroxypropanoic acid
CID 107835782
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
CID 120610292
3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride
CID 120611894
(2R)-2-[3-(2-aminophenyl)propanoylamino]-4-methylpentanoic acid
CID 107273040
3-(2-aminophenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide
CID 120613546
3-(2-aminophenyl)-N-[2-(4-fluorophenoxy)propyl]propanamide
CID 120611352
3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 106161001
N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662609

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide (CID 120611754) is 3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide is CC(C)CC(CCO)CNC(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide?
The InChIKey is HEVWURJCLFABOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)11-14(9-10-20)12-19-17(21)8-7-15-5-3-4-6-16(15)18/h3-6,13-14,20H,7-12,18H2,1-2H3,(H,19,21).
What are the key properties of 3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide?
3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.36, 9 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-(2-hydroxyethyl)-4-methylpentyl]propanamide is sourced from PubChem (CID 120611754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).