2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide

C14H22N2O2 — CID 79248901

IUPAC2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide
SMILESCC(N[C@H](CO)C(C)C)C(=O)Nc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-10(2)13(9-17)15-11(3)14(18)16-12-7-5-4-6-8-12/h4-8,10-11,13,15,17H,9H2,1-3H3,(H,16,18)/t11?,13-/m1/s1
InChIKeyZKOFTFQRYHETLG-GLGOKHISSA-N
MW250.34 g/mol
LogP1.62
Rot. Bonds6

About 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide

2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide (PubChem CID 79248901) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide
PubChem CID79248901
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide
SMILESCC(N[C@H](CO)C(C)C)C(=O)Nc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-10(2)13(9-17)15-11(3)14(18)16-12-7-5-4-6-8-12/h4-8,10-11,13,15,17H,9H2,1-3H3,(H,16,18)/t11?,13-/m1/s1
InChIKeyZKOFTFQRYHETLG-GLGOKHISSA-N
XLogP1.62
TPSA61.36 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 ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide 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

2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide
CID 43499919
2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide
CID 113457786
2-(pentan-2-ylamino)-N-phenylpropanamide
CID 43083650
(2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-phenylpropanamide
CID 124595607
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
(2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide
CID 8645970
2-(benzylamino)-N-phenylpropanamide
CID 4877973
(2S)-2-(benzylamino)-N-phenylpropanamide
CID 2443956
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid
CID 103256512
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide
CID 115454689
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide
CID 81357170
2,3-dihydroxy-N-phenylpropanamide;hydrate
CID 141005572

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide?
The IUPAC name of 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide (CID 79248901) is 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide.
What is the SMILES notation for 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide?
The canonical SMILES for 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide is CC(N[C@H](CO)C(C)C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide?
The InChIKey is ZKOFTFQRYHETLG-GLGOKHISSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)13(9-17)15-11(3)14(18)16-12-7-5-4-6-8-12/h4-8,10-11,13,15,17H,9H2,1-3H3,(H,16,18)/t11?,13-/m1/s1.
What are the key properties of 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide?
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide is sourced from PubChem (CID 79248901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).