2-(4-acetylphenoxy)-N-cycloheptylacetamide

C17H23NO3 — CID 2125230

IUPAC2-(4-acetylphenoxy)-N-cycloheptylacetamide
SMILESCC(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-13(19)14-8-10-16(11-9-14)21-12-17(20)18-15-6-4-2-3-5-7-15/h8-11,15H,2-7,12H2,1H3,(H,18,20)
InChIKeyBJAOABIDJUMVBP-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.11
Rot. Bonds5

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

2-(4-acetylphenoxy)-N-cycloheptylacetamide (PubChem CID 2125230) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-cycloheptylacetamide
PubChem CID2125230
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-(4-acetylphenoxy)-N-cycloheptylacetamide
SMILESCC(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C17H23NO3/c1-13(19)14-8-10-16(11-9-14)21-12-17(20)18-15-6-4-2-3-5-7-15/h8-11,15H,2-7,12H2,1H3,(H,18,20)
InChIKeyBJAOABIDJUMVBP-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-cycloheptylacetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-cycloheptylacetamide (CID 2125230) is 2-(4-acetylphenoxy)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-cycloheptylacetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-cycloheptylacetamide is CC(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-cycloheptylacetamide?
The InChIKey is BJAOABIDJUMVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13(19)14-8-10-16(11-9-14)21-12-17(20)18-15-6-4-2-3-5-7-15/h8-11,15H,2-7,12H2,1H3,(H,18,20).
What are the key properties of 2-(4-acetylphenoxy)-N-cycloheptylacetamide?
2-(4-acetylphenoxy)-N-cycloheptylacetamide has a molecular weight of 289.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-cycloheptylacetamide is sourced from PubChem (CID 2125230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).