3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide

C14H22N2O2 — CID 107273243

IUPAC3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide
SMILESCC(CCCO)NC(=O)CCc1ccccc1N
InChIInChI=1S/C14H22N2O2/c1-11(5-4-10-17)16-14(18)9-8-12-6-2-3-7-13(12)15/h2-3,6-7,11,17H,4-5,8-10,15H2,1H3,(H,16,18)
InChIKeyFIHWIYYHQDDAEK-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.48
Rot. Bonds7

About 3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide

3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide (PubChem CID 107273243) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide
PubChem CID107273243
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide
SMILESCC(CCCO)NC(=O)CCc1ccccc1N
InChIInChI=1S/C14H22N2O2/c1-11(5-4-10-17)16-14(18)9-8-12-6-2-3-7-13(12)15/h2-3,6-7,11,17H,4-5,8-10,15H2,1H3,(H,16,18)
InChIKeyFIHWIYYHQDDAEK-UHFFFAOYSA-N
XLogP1.48
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide 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

3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 107273207
3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 107272981
3-(2-aminophenyl)-N-[1-(2-fluorophenyl)propan-2-yl]propanamide;hydrochloride
CID 120609030
methyl 2-[3-(2-aminophenyl)propanoylamino]propanoate
CID 107273028
3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 106161001
2-[3-(2-aminophenyl)propanoylamino]-3-methylbutanamide
CID 107329581
2-[3-(2-aminophenyl)propanoylamino]-N-butan-2-ylpropanamide;hydrochloride
CID 120609968
(2R)-2-[3-(2-aminophenyl)propanoylamino]-4-methylpentanoic acid
CID 107273040
2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide
CID 61466661
3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide
CID 120611754
2-(2-aminophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43498574
methyl 2-[3-(2-aminophenyl)propanoylamino]-4-methylpentanoate;hydrochloride
CID 120609137

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide (CID 107273243) is 3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide is CC(CCCO)NC(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide?
The InChIKey is FIHWIYYHQDDAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(5-4-10-17)16-14(18)9-8-12-6-2-3-7-13(12)15/h2-3,6-7,11,17H,4-5,8-10,15H2,1H3,(H,16,18).
What are the key properties of 3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide?
3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide is sourced from PubChem (CID 107273243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).