N-(2-cyanopropyl)-3-phenylpropanamide

C13H16N2O — CID 62651466

IUPACN-(2-cyanopropyl)-3-phenylpropanamide
SMILESCC(C#N)CNC(=O)CCc1ccccc1
InChIInChI=1S/C13H16N2O/c1-11(9-14)10-15-13(16)8-7-12-5-3-2-4-6-12/h2-6,11H,7-8,10H2,1H3,(H,15,16)
InChIKeyGRAANBXZJGUFIZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.90
Rot. Bonds5

About N-(2-cyanopropyl)-3-phenylpropanamide

N-(2-cyanopropyl)-3-phenylpropanamide (PubChem CID 62651466) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(2-cyanopropyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-3-phenylpropanamide
PubChem CID62651466
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(2-cyanopropyl)-3-phenylpropanamide
SMILESCC(C#N)CNC(=O)CCc1ccccc1
InChIInChI=1S/C13H16N2O/c1-11(9-14)10-15-13(16)8-7-12-5-3-2-4-6-12/h2-6,11H,7-8,10H2,1H3,(H,15,16)
InChIKeyGRAANBXZJGUFIZ-UHFFFAOYSA-N
XLogP1.90
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-aminophenyl)-N-(2-cyanopropyl)propanamide
CID 115341412
N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylpropanamide
CID 93032888
N-(1-cyano-3-methylbutyl)-3-phenylpropanamide
CID 112511365
N-(1-cyanopropan-2-yl)-3-phenylpropanamide
CID 62089584
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide
CID 55102577
N-(2-methylpropyl)-5-phenylpentanamide
CID 110297876
4-(2-cyanopropylamino)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 62666942
N-(2-bromo-4,4-dimethylpentyl)-3-phenylpropanamide
CID 107156726
3-(4-methylphenyl)-N-(2-phenylpropyl)propanamide
CID 133229339
N-(2-bromo-2-cyclopropylethyl)-3-phenylpropanamide
CID 114315834
N-(3-hydroxy-2-methylpropyl)-4-phenylbutanamide
CID 65037096
N-(2-ethylhexyl)-3-phenylpropanamide
CID 3261802

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-3-phenylpropanamide?
The IUPAC name of N-(2-cyanopropyl)-3-phenylpropanamide (CID 62651466) is N-(2-cyanopropyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-cyanopropyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-cyanopropyl)-3-phenylpropanamide is CC(C#N)CNC(=O)CCc1ccccc1.
What is the InChIKey of N-(2-cyanopropyl)-3-phenylpropanamide?
The InChIKey is GRAANBXZJGUFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-11(9-14)10-15-13(16)8-7-12-5-3-2-4-6-12/h2-6,11H,7-8,10H2,1H3,(H,15,16).
What are the key properties of N-(2-cyanopropyl)-3-phenylpropanamide?
N-(2-cyanopropyl)-3-phenylpropanamide has a molecular weight of 216.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-3-phenylpropanamide is sourced from PubChem (CID 62651466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).