2-(2-cyanophenoxy)-N-cycloheptylacetamide

C16H20N2O2 — CID 4798427

IUPAC2-(2-cyanophenoxy)-N-cycloheptylacetamide
SMILESN#Cc1ccccc1OCC(=O)NC1CCCCCC1
InChIInChI=1S/C16H20N2O2/c17-11-13-7-5-6-10-15(13)20-12-16(19)18-14-8-3-1-2-4-9-14/h5-7,10,14H,1-4,8-9,12H2,(H,18,19)
InChIKeySODYBNBTPADFRH-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.78
Rot. Bonds4

About 2-(2-cyanophenoxy)-N-cycloheptylacetamide

2-(2-cyanophenoxy)-N-cycloheptylacetamide (PubChem CID 4798427) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-cycloheptylacetamide
PubChem CID4798427
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(2-cyanophenoxy)-N-cycloheptylacetamide
SMILESN#Cc1ccccc1OCC(=O)NC1CCCCCC1
InChIInChI=1S/C16H20N2O2/c17-11-13-7-5-6-10-15(13)20-12-16(19)18-14-8-3-1-2-4-9-14/h5-7,10,14H,1-4,8-9,12H2,(H,18,19)
InChIKeySODYBNBTPADFRH-UHFFFAOYSA-N
XLogP2.78
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-cycloheptylacetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-cycloheptylacetamide (CID 4798427) is 2-(2-cyanophenoxy)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-cycloheptylacetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-cycloheptylacetamide is N#Cc1ccccc1OCC(=O)NC1CCCCCC1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-cycloheptylacetamide?
The InChIKey is SODYBNBTPADFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-11-13-7-5-6-10-15(13)20-12-16(19)18-14-8-3-1-2-4-9-14/h5-7,10,14H,1-4,8-9,12H2,(H,18,19).
What are the key properties of 2-(2-cyanophenoxy)-N-cycloheptylacetamide?
2-(2-cyanophenoxy)-N-cycloheptylacetamide has a molecular weight of 272.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-cycloheptylacetamide is sourced from PubChem (CID 4798427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).