N-benzyl-3-cyano-N,2-dimethylpropanamide

C13H16N2O — CID 82113791

IUPACN-benzyl-3-cyano-N,2-dimethylpropanamide
SMILESCC(CC#N)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H16N2O/c1-11(8-9-14)13(16)15(2)10-12-6-4-3-5-7-12/h3-7,11H,8,10H2,1-2H3
InChIKeyRCXXZCCXBPEMOL-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.19
Rot. Bonds4

About N-benzyl-3-cyano-N,2-dimethylpropanamide

N-benzyl-3-cyano-N,2-dimethylpropanamide (PubChem CID 82113791) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-benzyl-3-cyano-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-cyano-N,2-dimethylpropanamide
PubChem CID82113791
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-benzyl-3-cyano-N,2-dimethylpropanamide
SMILESCC(CC#N)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H16N2O/c1-11(8-9-14)13(16)15(2)10-12-6-4-3-5-7-12/h3-7,11H,8,10H2,1-2H3
InChIKeyRCXXZCCXBPEMOL-UHFFFAOYSA-N
XLogP2.19
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R)-3-[benzyl(methyl)amino]-2-[(4-cyanophenyl)methyl]-3-oxopropanoic acid
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2-amino-N-benzyl-N,3,3-trimethylbutanamide
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N-benzyl-2-(2-ethylphenoxy)-N-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-cyano-N,2-dimethylpropanamide?
The IUPAC name of N-benzyl-3-cyano-N,2-dimethylpropanamide (CID 82113791) is N-benzyl-3-cyano-N,2-dimethylpropanamide.
What is the SMILES notation for N-benzyl-3-cyano-N,2-dimethylpropanamide?
The canonical SMILES for N-benzyl-3-cyano-N,2-dimethylpropanamide is CC(CC#N)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-cyano-N,2-dimethylpropanamide?
The InChIKey is RCXXZCCXBPEMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-11(8-9-14)13(16)15(2)10-12-6-4-3-5-7-12/h3-7,11H,8,10H2,1-2H3.
What are the key properties of N-benzyl-3-cyano-N,2-dimethylpropanamide?
N-benzyl-3-cyano-N,2-dimethylpropanamide has a molecular weight of 216.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-cyano-N,2-dimethylpropanamide is sourced from PubChem (CID 82113791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).