N-(4-cyanophenyl)-2-cycloheptylacetamide

C16H20N2O — CID 115679897

IUPACN-(4-cyanophenyl)-2-cycloheptylacetamide
SMILESN#Cc1ccc(NC(=O)CC2CCCCCC2)cc1
InChIInChI=1S/C16H20N2O/c17-12-14-7-9-15(10-8-14)18-16(19)11-13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2,(H,18,19)
InChIKeyKWXMVBFGXRPWBO-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.86
Rot. Bonds3

About N-(4-cyanophenyl)-2-cycloheptylacetamide

N-(4-cyanophenyl)-2-cycloheptylacetamide (PubChem CID 115679897) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-cycloheptylacetamide
PubChem CID115679897
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(4-cyanophenyl)-2-cycloheptylacetamide
SMILESN#Cc1ccc(NC(=O)CC2CCCCCC2)cc1
InChIInChI=1S/C16H20N2O/c17-12-14-7-9-15(10-8-14)18-16(19)11-13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2,(H,18,19)
InChIKeyKWXMVBFGXRPWBO-UHFFFAOYSA-N
XLogP3.86
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
2-cyclohexyl-N-[4-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 60803962
N-[4-(cyanomethoxy)phenyl]-2-cyclopentylacetamide
CID 51177132
2-cyclohexyl-N-(4-iodophenyl)acetamide
CID 807079
[2-(4-cyanoanilino)-2-oxoethyl]-cyclooctylazanium
CID 9265471
2-cyclohexyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60803356
N-(2-chloro-5-cyanophenyl)-2-cycloheptylacetamide
CID 115687176
2-cyclopentyl-N-(4-iodophenyl)acetamide
CID 2677478
2-cyclohexyl-N-(4-nitrophenyl)acetamide
CID 2911775
2-cyclopentyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60805116
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(3-cyano-4-fluorophenyl)-2-cyclopentylacetamide
CID 62315620

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-cycloheptylacetamide?
The IUPAC name of N-(4-cyanophenyl)-2-cycloheptylacetamide (CID 115679897) is N-(4-cyanophenyl)-2-cycloheptylacetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-cycloheptylacetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-cycloheptylacetamide is N#Cc1ccc(NC(=O)CC2CCCCCC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-cycloheptylacetamide?
The InChIKey is KWXMVBFGXRPWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-12-14-7-9-15(10-8-14)18-16(19)11-13-5-3-1-2-4-6-13/h7-10,13H,1-6,11H2,(H,18,19).
What are the key properties of N-(4-cyanophenyl)-2-cycloheptylacetamide?
N-(4-cyanophenyl)-2-cycloheptylacetamide has a molecular weight of 256.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-cycloheptylacetamide is sourced from PubChem (CID 115679897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).