2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide

C13H16N2O2 — CID 55168822

IUPAC2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
SMILESCC(C#N)C(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10(8-14)13(17)15-12(9-16)7-11-5-3-2-4-6-11/h2-6,10,12,16H,7,9H2,1H3,(H,15,17)
InChIKeyMPYQIRCRKXYEHR-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.87
Rot. Bonds5

About 2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide

2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide (PubChem CID 55168822) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
PubChem CID55168822
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
SMILESCC(C#N)C(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10(8-14)13(17)15-12(9-16)7-11-5-3-2-4-6-11/h2-6,10,12,16H,7,9H2,1H3,(H,15,17)
InChIKeyMPYQIRCRKXYEHR-UHFFFAOYSA-N
XLogP0.87
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanamide
CID 107861085
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55168250
2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55169772
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
1-but-2-ynyl-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 84597423
2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile
CID 63261459
(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide
CID 10857796
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
N-(1,3-dihydroxypropan-2-yl)-3-phenyl-2-sulfanylpropanamide
CID 107031176
(3R)-3-amino-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 18341314

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide?
The IUPAC name of 2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide (CID 55168822) is 2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide.
What is the SMILES notation for 2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide?
The canonical SMILES for 2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide is CC(C#N)C(=O)NC(CO)Cc1ccccc1.
What is the InChIKey of 2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide?
The InChIKey is MPYQIRCRKXYEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(8-14)13(17)15-12(9-16)7-11-5-3-2-4-6-11/h2-6,10,12,16H,7,9H2,1H3,(H,15,17).
What are the key properties of 2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide?
2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide has a molecular weight of 232.28 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide is sourced from PubChem (CID 55168822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).