N-(2-cyanopropan-2-yl)-3-phenylpropanamide

C13H16N2O — CID 55029032

IUPACN-(2-cyanopropan-2-yl)-3-phenylpropanamide
SMILESCC(C)(C#N)NC(=O)CCc1ccccc1
InChIInChI=1S/C13H16N2O/c1-13(2,10-14)15-12(16)9-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,15,16)
InChIKeyUEZLCUPNOVJDIC-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.04
Rot. Bonds4

About N-(2-cyanopropan-2-yl)-3-phenylpropanamide

N-(2-cyanopropan-2-yl)-3-phenylpropanamide (PubChem CID 55029032) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-3-phenylpropanamide
PubChem CID55029032
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(2-cyanopropan-2-yl)-3-phenylpropanamide
SMILESCC(C)(C#N)NC(=O)CCc1ccccc1
InChIInChI=1S/C13H16N2O/c1-13(2,10-14)15-12(16)9-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,15,16)
InChIKeyUEZLCUPNOVJDIC-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(2-chlorophenyl)-N-(2-cyanopropan-2-yl)butanamide
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N-tert-butyl-4-(3-phenylpropanoylamino)pentanamide
CID 145021408
N-[1-chloro-2-(chloromethyl)butan-2-yl]-3-phenylpropanamide
CID 107867522
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-phenylpropanamide
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N-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-3-phenylpropanamide (CID 55029032) is N-(2-cyanopropan-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-3-phenylpropanamide is CC(C)(C#N)NC(=O)CCc1ccccc1.
What is the InChIKey of N-(2-cyanopropan-2-yl)-3-phenylpropanamide?
The InChIKey is UEZLCUPNOVJDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-13(2,10-14)15-12(16)9-8-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-(2-cyanopropan-2-yl)-3-phenylpropanamide?
N-(2-cyanopropan-2-yl)-3-phenylpropanamide has a molecular weight of 216.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 55029032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).