(2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide

C13H16N2O — CID 94396295

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

About (2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide

(2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide (PubChem CID 94396295) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide
PubChem CID94396295
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide
SMILESCC[C@@H](NC(=O)[C@H](C)C#N)c1ccccc1
InChIInChI=1S/C13H16N2O/c1-3-12(11-7-5-4-6-8-11)15-13(16)10(2)9-14/h4-8,10,12H,3H2,1-2H3,(H,15,16)/t10-,12-/m1/s1
InChIKeyZFHYYEOCUVRDCX-ZYHUDNBSSA-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

2-bromo-N-[(1R)-1-phenylpropyl]propanamide
CID 165438304
(2S)-2-(methylamino)-N-(1-phenylpropyl)propanamide
CID 165438311
2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
CID 62305056
(2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide
CID 94010231
3-amino-2-phenyl-N-(1-phenylpropyl)propanamide
CID 62878381
2-chloro-N-(1-phenylpropyl)pentanamide
CID 165438595
2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide
CID 107863374
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
2-acetamido-N-(1-phenylpropyl)-3-sulfanylpropanamide
CID 107769437
(2R)-2-amino-3-phenyl-N-(1-phenylpropyl)propanamide
CID 78988694
2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 55168822
3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884889

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide?
The IUPAC name of (2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide (CID 94396295) is (2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide.
What is the SMILES notation for (2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide?
The canonical SMILES for (2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide is CC[C@@H](NC(=O)[C@H](C)C#N)c1ccccc1.
What is the InChIKey of (2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide?
The InChIKey is ZFHYYEOCUVRDCX-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-12(11-7-5-4-6-8-11)15-13(16)10(2)9-14/h4-8,10,12H,3H2,1-2H3,(H,15,16)/t10-,12-/m1/s1.
What are the key properties of (2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide?
(2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide 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-phenylpropyl]propanamide is sourced from PubChem (CID 94396295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).