3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide

C15H24N2O2 — CID 107272981

IUPAC3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
SMILESCC(C)CC(CO)NC(=O)CCc1ccccc1N
InChIInChI=1S/C15H24N2O2/c1-11(2)9-13(10-18)17-15(19)8-7-12-5-3-4-6-14(12)16/h3-6,11,13,18H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyCOGRJQYJXCYNRI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.72
Rot. Bonds7

About 3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide

3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide (PubChem CID 107272981) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
PubChem CID107272981
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
SMILESCC(C)CC(CO)NC(=O)CCc1ccccc1N
InChIInChI=1S/C15H24N2O2/c1-11(2)9-13(10-18)17-15(19)8-7-12-5-3-4-6-14(12)16/h3-6,11,13,18H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyCOGRJQYJXCYNRI-UHFFFAOYSA-N
XLogP1.72
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.72
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-chlorophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61246362
3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 107273207
(2R)-2-[3-(2-aminophenyl)propanoylamino]-4-methylpentanoic acid
CID 107273040
methyl 2-[3-(2-aminophenyl)propanoylamino]-4-methylpentanoate;hydrochloride
CID 120609137
3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide
CID 107273243
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,N-dimethylpropanamide
CID 61466661
N-(1-bromo-4-methylpentan-2-yl)-3-(2-methylphenyl)propanamide
CID 113274924
3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide
CID 120611754
3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide
CID 107273000

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide (CID 107272981) is 3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide is CC(C)CC(CO)NC(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
The InChIKey is COGRJQYJXCYNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)9-13(10-18)17-15(19)8-7-12-5-3-4-6-14(12)16/h3-6,11,13,18H,7-10,16H2,1-2H3,(H,17,19).
What are the key properties of 3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide?
3-(2-aminophenyl)-N-(1-hydroxy-4-methylpentan-2-yl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.72, 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-(1-hydroxy-4-methylpentan-2-yl)propanamide is sourced from PubChem (CID 107272981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).