N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide

C17H22N2O — CID 54786502

IUPACN-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide
SMILESN#CCCN(Cc1ccccc1)C(=O)CC1CCCC1
InChIInChI=1S/C17H22N2O/c18-11-6-12-19(14-16-9-2-1-3-10-16)17(20)13-15-7-4-5-8-15/h1-3,9-10,15H,4-8,12-14H2
InChIKeyJKWZPFLZPOAFJK-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.51
Rot. Bonds6

About N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide

N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide (PubChem CID 54786502) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide
PubChem CID54786502
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide
SMILESN#CCCN(Cc1ccccc1)C(=O)CC1CCCC1
InChIInChI=1S/C17H22N2O/c18-11-6-12-19(14-16-9-2-1-3-10-16)17(20)13-15-7-4-5-8-15/h1-3,9-10,15H,4-8,12-14H2
InChIKeyJKWZPFLZPOAFJK-UHFFFAOYSA-N
XLogP3.51
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
N-benzyl-2-cyclopentyl-N-(2-methoxyethyl)acetamide
CID 86975819
N-(2-cyanoethyl)-2-cyclohexyl-N-phenylacetamide
CID 28780447
cis-(1R,2S)-2-[benzyl(2-cyanoethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 93234593
1-benzyl-1-(2-cyanoethyl)-3-cyclohexylurea
CID 4685266
N-benzyl-N-(2-bromoethyl)-2-cyclopropylacetamide
CID 80662251
N,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide
CID 43911774
N-benzyl-N-(2-cyanoethyl)butanamide
CID 43911640
N,N-dibenzyl-2-piperidin-4-ylacetamide
CID 119669950
N-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide
CID 96664778
ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate
CID 103707142
N-[benzyl(2-cyanoethyl)carbamothioyl]cyclopropanecarboxamide
CID 43911968

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide?
The IUPAC name of N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide (CID 54786502) is N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide.
What is the SMILES notation for N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide?
The canonical SMILES for N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide is N#CCCN(Cc1ccccc1)C(=O)CC1CCCC1.
What is the InChIKey of N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide?
The InChIKey is JKWZPFLZPOAFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c18-11-6-12-19(14-16-9-2-1-3-10-16)17(20)13-15-7-4-5-8-15/h1-3,9-10,15H,4-8,12-14H2.
What are the key properties of N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide?
N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide has a molecular weight of 270.38 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide is sourced from PubChem (CID 54786502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).