N-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide

C16H20N2O — CID 96664778

IUPACN-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide
SMILESN#CCCN(C(=O)Cc1ccccc1)C1CCCC1
InChIInChI=1S/C16H20N2O/c17-11-6-12-18(15-9-4-5-10-15)16(19)13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-10,12-13H2
InChIKeyXQCMQSUNXADIFG-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.91
Rot. Bonds5

About N-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide

N-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide (PubChem CID 96664778) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide
PubChem CID96664778
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide
SMILESN#CCCN(C(=O)Cc1ccccc1)C1CCCC1
InChIInChI=1S/C16H20N2O/c17-11-6-12-18(15-9-4-5-10-15)16(19)13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-10,12-13H2
InChIKeyXQCMQSUNXADIFG-UHFFFAOYSA-N
XLogP2.91
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide
CID 80658910
2-[2-[2-cyanoethyl(cyclopropyl)amino]-2-oxoethyl]benzoic acid
CID 104601447
N-(2-chloroethyl)-N-cyclopropyl-2-phenylacetamide
CID 63394434
2-[cyclopentyl-(2-phenylacetyl)amino]acetic acid
CID 54926378
2-chloro-N-(2-cyanoethyl)-N-cyclohexylbenzamide
CID 2807201
N-benzyl-N-(2-cyanoethyl)-2-cyclopentylacetamide
CID 54786502
3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide
CID 54916242
N-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide
CID 54997696
N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide
CID 115680039
N-(2-cyanoethyl)-N-cyclopentylpentanamide
CID 98014383
N-(2-cyanoethyl)-N-cyclopropyl-2-(2,5-dimethylphenyl)acetamide
CID 62539671
N-cyclopentyl-2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 158834559

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide (CID 96664778) is N-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide is N#CCCN(C(=O)Cc1ccccc1)C1CCCC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide?
The InChIKey is XQCMQSUNXADIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-11-6-12-18(15-9-4-5-10-15)16(19)13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-10,12-13H2.
What are the key properties of N-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide?
N-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide has a molecular weight of 256.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide is sourced from PubChem (CID 96664778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).