N-benzyl-2-cyano-N-propan-2-ylacetamide

C13H16N2O — CID 24702925

IUPACN-benzyl-2-cyano-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CC#N
InChIInChI=1S/C13H16N2O/c1-11(2)15(13(16)8-9-14)10-12-6-4-3-5-7-12/h3-7,11H,8,10H2,1-2H3
InChIKeyZHYPBXDDDCLLKO-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.34
Rot. Bonds4

About N-benzyl-2-cyano-N-propan-2-ylacetamide

N-benzyl-2-cyano-N-propan-2-ylacetamide (PubChem CID 24702925) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-benzyl-2-cyano-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-cyano-N-propan-2-ylacetamide
PubChem CID24702925
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-benzyl-2-cyano-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)CC#N
InChIInChI=1S/C13H16N2O/c1-11(2)15(13(16)8-9-14)10-12-6-4-3-5-7-12/h3-7,11H,8,10H2,1-2H3
InChIKeyZHYPBXDDDCLLKO-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-2-cyano-N-ethylacetamide
CID 28983811
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2099680
N,N'-dibenzyl-N-methyl-N'-propan-2-ylpropanediamide
CID 108946081
N-benzyl-2-[benzyl(ethyl)amino]-N-propan-2-ylacetamide
CID 108998910
N-benzyl-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 113098358
1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea
CID 108990757
N-benzyl-3-(ethylamino)-N-propan-2-ylpropanamide
CID 62833900
benzyl-[(2S)-1-cyano-1-hydroxypropan-2-yl]carbamic acid
CID 87121485
2-[acetyl(butan-2-yl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113159086
N-benzyl-N-propan-2-yl-2-(1H-pyrrol-3-yl)acetamide
CID 110769169

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyano-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-cyano-N-propan-2-ylacetamide (CID 24702925) is N-benzyl-2-cyano-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-cyano-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-cyano-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)CC#N.
What is the InChIKey of N-benzyl-2-cyano-N-propan-2-ylacetamide?
The InChIKey is ZHYPBXDDDCLLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-11(2)15(13(16)8-9-14)10-12-6-4-3-5-7-12/h3-7,11H,8,10H2,1-2H3.
What are the key properties of N-benzyl-2-cyano-N-propan-2-ylacetamide?
N-benzyl-2-cyano-N-propan-2-ylacetamide has a molecular weight of 216.28 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyano-N-propan-2-ylacetamide is sourced from PubChem (CID 24702925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).