N-benzyl-2-cyano-N-ethylacetamide

C12H14N2O — CID 28983811

IUPACN-benzyl-2-cyano-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CC#N
InChIInChI=1S/C12H14N2O/c1-2-14(12(15)8-9-13)10-11-6-4-3-5-7-11/h3-7H,2,8,10H2,1H3
InChIKeySGJXOPRNXAHBHA-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.95
Rot. Bonds4

About N-benzyl-2-cyano-N-ethylacetamide

N-benzyl-2-cyano-N-ethylacetamide (PubChem CID 28983811) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is N-benzyl-2-cyano-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-cyano-N-ethylacetamide
PubChem CID28983811
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC NameN-benzyl-2-cyano-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CC#N
InChIInChI=1S/C12H14N2O/c1-2-14(12(15)8-9-13)10-11-6-4-3-5-7-11/h3-7H,2,8,10H2,1H3
InChIKeySGJXOPRNXAHBHA-UHFFFAOYSA-N
XLogP1.95
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
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N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-benzyl-2-(dipropylamino)-N-ethylacetamide
CID 108998990
N-benzyl-2-cyano-N-propan-2-ylacetamide
CID 24702925
N-benzyl-3-(cyanomethyl)-N-ethylbenzamide
CID 78884014
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65297707
N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625
N-benzyl-N-(2-cyanoethyl)butanamide
CID 43911640
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyano-N-ethylacetamide?
The IUPAC name of N-benzyl-2-cyano-N-ethylacetamide (CID 28983811) is N-benzyl-2-cyano-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-cyano-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-cyano-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CC#N.
What is the InChIKey of N-benzyl-2-cyano-N-ethylacetamide?
The InChIKey is SGJXOPRNXAHBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-14(12(15)8-9-13)10-11-6-4-3-5-7-11/h3-7H,2,8,10H2,1H3.
What are the key properties of N-benzyl-2-cyano-N-ethylacetamide?
N-benzyl-2-cyano-N-ethylacetamide has a molecular weight of 202.26 g/mol, XLogP of 1.95, 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-ethylacetamide is sourced from PubChem (CID 28983811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).