2-cyano-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanamide

C14H18N2O2 — CID 107861085

IUPAC2-cyano-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanamide
SMILESCCC(C#N)C(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-2-12(9-15)14(18)16-13(10-17)8-11-6-4-3-5-7-11/h3-7,12-13,17H,2,8,10H2,1H3,(H,16,18)/t12?,13-/m1/s1
InChIKeyOVJBGQANBNLMSV-ZGTCLIOFSA-N
MW246.31 g/mol
LogP1.26
Rot. Bonds6

About 2-cyano-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanamide

2-cyano-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanamide (PubChem CID 107861085) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-cyano-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanamide.

Molecular Properties

Compound Name2-cyano-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanamide
PubChem CID107861085
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-cyano-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanamide
SMILESCCC(C#N)C(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-2-12(9-15)14(18)16-13(10-17)8-11-6-4-3-5-7-11/h3-7,12-13,17H,2,8,10H2,1H3,(H,16,18)/t12?,13-/m1/s1
InChIKeyOVJBGQANBNLMSV-ZGTCLIOFSA-N
XLogP1.26
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 55168822
2-cyano-N-(2-phenylethyl)butanamide
CID 55207760
(2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide
CID 94010231
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366
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
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
1-but-2-ynyl-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 84597423
2-(butan-2-ylamino)-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 63261541
(2S)-2-amino-N-[(1S)-1-cyano-2-phenylethyl]butanamide
CID 11736400

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanamide?
The IUPAC name of 2-cyano-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanamide (CID 107861085) is 2-cyano-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanamide.
What is the SMILES notation for 2-cyano-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanamide?
The canonical SMILES for 2-cyano-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanamide is CCC(C#N)C(=O)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of 2-cyano-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanamide?
The InChIKey is OVJBGQANBNLMSV-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-12(9-15)14(18)16-13(10-17)8-11-6-4-3-5-7-11/h3-7,12-13,17H,2,8,10H2,1H3,(H,16,18)/t12?,13-/m1/s1.
What are the key properties of 2-cyano-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanamide?
2-cyano-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanamide has a molecular weight of 246.31 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanamide is sourced from PubChem (CID 107861085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).