3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide

C14H22N2O2 — CID 107273207

IUPAC3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@@H](CO)NC(=O)CCc1ccccc1N
InChIInChI=1S/C14H22N2O2/c1-10(2)13(9-17)16-14(18)8-7-11-5-3-4-6-12(11)15/h3-6,10,13,17H,7-9,15H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyLLRBITHNQWELCA-CYBMUJFWSA-N
MW250.34 g/mol
LogP1.33
Rot. Bonds6

About 3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide

3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide (PubChem CID 107273207) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
PubChem CID107273207
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@@H](CO)NC(=O)CCc1ccccc1N
InChIInChI=1S/C14H22N2O2/c1-10(2)13(9-17)16-14(18)8-7-11-5-3-4-6-12(11)15/h3-6,10,13,17H,7-9,15H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyLLRBITHNQWELCA-CYBMUJFWSA-N
XLogP1.33
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.33
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-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 107272981
2-[3-(2-aminophenyl)propanoylamino]-3-methylbutanamide
CID 107329581
3-(2-aminophenyl)-N-(5-hydroxypentan-2-yl)propanamide
CID 107273243
methyl 2-[3-(2-aminophenyl)propanoylamino]propanoate
CID 107273028
2-[3-(2-aminophenyl)propanoylamino]-N,N-dimethylpropanamide
CID 61466661
(2R)-2-[3-(2-aminophenyl)propanoylamino]-4-methylpentanoic acid
CID 107273040
2-[2-(aminomethyl)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 81322851
2-[3-(2-aminophenyl)propanoylamino]-N-butan-2-ylpropanamide;hydrochloride
CID 120609968
methyl 2-[3-(2-aminophenyl)propanoylamino]-4-methylpentanoate;hydrochloride
CID 120609137
3-(2-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]propanamide
CID 107273000
3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273267
3-(2-aminophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273266

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide (CID 107273207) is 3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide is CC(C)[C@@H](CO)NC(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
The InChIKey is LLRBITHNQWELCA-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)13(9-17)16-14(18)8-7-11-5-3-4-6-12(11)15/h3-6,10,13,17H,7-9,15H2,1-2H3,(H,16,18)/t13-/m1/s1.
What are the key properties of 3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide is sourced from PubChem (CID 107273207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).