(2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide

C13H16N2O — CID 94010231

IUPAC(2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide
SMILESCC[C@H](C#N)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C13H16N2O/c1-3-11(9-14)13(16)15-10(2)12-7-5-4-6-8-12/h4-8,10-11H,3H2,1-2H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyUNZZOTXZRIQDRO-GHMZBOCLSA-N
MW216.28 g/mol
LogP2.41
Rot. Bonds4

About (2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide

(2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide (PubChem CID 94010231) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide
PubChem CID94010231
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide
SMILESCC[C@H](C#N)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C13H16N2O/c1-3-11(9-14)13(16)15-10(2)12-7-5-4-6-8-12/h4-8,10-11H,3H2,1-2H3,(H,15,16)/t10-,11-/m1/s1
InChIKeyUNZZOTXZRIQDRO-GHMZBOCLSA-N
XLogP2.41
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
2-cyano-2-fluoro-N-[(1S)-1-phenylethyl]acetamide
CID 101483881
(2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide
CID 94396295
2-cyano-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanamide
CID 107861085
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
2-cyano-N-[(1R)-1-phenylethyl]acetamide
CID 2164179
4-(4-chloro-3,5-dimethylphenoxy)-2-cyano-N-(1-phenylethyl)butanamide
CID 175658547
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide?
The IUPAC name of (2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide (CID 94010231) is (2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide.
What is the SMILES notation for (2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide?
The canonical SMILES for (2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide is CC[C@H](C#N)C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of (2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide?
The InChIKey is UNZZOTXZRIQDRO-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-11(9-14)13(16)15-10(2)12-7-5-4-6-8-12/h4-8,10-11H,3H2,1-2H3,(H,15,16)/t10-,11-/m1/s1.
What are the key properties of (2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide?
(2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide has a molecular weight of 216.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide is sourced from PubChem (CID 94010231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).