N-(3-cyanophenyl)-2-cycloheptylacetamide

C16H20N2O — CID 115679873

IUPACN-(3-cyanophenyl)-2-cycloheptylacetamide
SMILESN#Cc1cccc(NC(=O)CC2CCCCCC2)c1
InChIInChI=1S/C16H20N2O/c17-12-14-8-5-9-15(10-14)18-16(19)11-13-6-3-1-2-4-7-13/h5,8-10,13H,1-4,6-7,11H2,(H,18,19)
InChIKeyBSUPNEKIUHWFIZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.86
Rot. Bonds3

About N-(3-cyanophenyl)-2-cycloheptylacetamide

N-(3-cyanophenyl)-2-cycloheptylacetamide (PubChem CID 115679873) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-cycloheptylacetamide
PubChem CID115679873
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(3-cyanophenyl)-2-cycloheptylacetamide
SMILESN#Cc1cccc(NC(=O)CC2CCCCCC2)c1
InChIInChI=1S/C16H20N2O/c17-12-14-8-5-9-15(10-14)18-16(19)11-13-6-3-1-2-4-7-13/h5,8-10,13H,1-4,6-7,11H2,(H,18,19)
InChIKeyBSUPNEKIUHWFIZ-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-cyclopropylacetamide
CID 56828279
N-(4-cyanophenyl)-2-cycloheptylacetamide
CID 115679897
N-(3-cyanophenyl)-2-(cyclopentylmethylsulfanyl)acetamide
CID 63119187
N-(3-cyanophenyl)-3-(cyclopentylmethylsulfinyl)propanamide
CID 64699381
[2-(3-cyanoanilino)-2-oxoethyl]-cyclooctylazanium
CID 9265356
N-(3-cyanophenyl)-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 9269904
N'-(3-cyanophenyl)-N-cyclopentylpropanediamide
CID 108942303
N-(3-cyanophenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110864817
N-[3-(cyanomethoxy)phenyl]-2-cyclohexylacetamide
CID 43369129
3-[(2-cycloheptylacetyl)amino]benzoic acid
CID 115909872
2-cyclohexyl-N-(3-phenylphenyl)acetamide
CID 53348155
N-[3-[(2-cyclohexylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570451

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-cycloheptylacetamide?
The IUPAC name of N-(3-cyanophenyl)-2-cycloheptylacetamide (CID 115679873) is N-(3-cyanophenyl)-2-cycloheptylacetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-cycloheptylacetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-cycloheptylacetamide is N#Cc1cccc(NC(=O)CC2CCCCCC2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-cycloheptylacetamide?
The InChIKey is BSUPNEKIUHWFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-12-14-8-5-9-15(10-14)18-16(19)11-13-6-3-1-2-4-7-13/h5,8-10,13H,1-4,6-7,11H2,(H,18,19).
What are the key properties of N-(3-cyanophenyl)-2-cycloheptylacetamide?
N-(3-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-(3-cyanophenyl)-2-cycloheptylacetamide is sourced from PubChem (CID 115679873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).