N-(4-oxocyclohexyl)-2-phenoxyacetamide

C14H17NO3 — CID 43652791

IUPACN-(4-oxocyclohexyl)-2-phenoxyacetamide
SMILESO=C1CCC(NC(=O)COc2ccccc2)CC1
InChIInChI=1S/C14H17NO3/c16-12-8-6-11(7-9-12)15-14(17)10-18-13-4-2-1-3-5-13/h1-5,11H,6-10H2,(H,15,17)
InChIKeyBFVFDDCKBQEUSM-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.69
Rot. Bonds4

About N-(4-oxocyclohexyl)-2-phenoxyacetamide

N-(4-oxocyclohexyl)-2-phenoxyacetamide (PubChem CID 43652791) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(4-oxocyclohexyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4-oxocyclohexyl)-2-phenoxyacetamide
PubChem CID43652791
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-(4-oxocyclohexyl)-2-phenoxyacetamide
SMILESO=C1CCC(NC(=O)COc2ccccc2)CC1
InChIInChI=1S/C14H17NO3/c16-12-8-6-11(7-9-12)15-14(17)10-18-13-4-2-1-3-5-13/h1-5,11H,6-10H2,(H,15,17)
InChIKeyBFVFDDCKBQEUSM-UHFFFAOYSA-N
XLogP1.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
N-(4-oxocyclohexyl)-2-phenylacetamide
CID 43652835
N-cyclooctyl-2-[(2-phenoxyacetyl)amino]acetamide
CID 24635122
N-(oxan-3-yl)-2-phenoxyacetamide
CID 142540024
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
N-(6-methyloxan-3-yl)-2-phenoxyacetamide
CID 155627872
N-cyclohexyl-2-[(2-phenoxyacetyl)amino]propanamide
CID 51160967
1-cyclohexyl-3-[(2-phenoxyacetyl)amino]thiourea
CID 19167980
2-(4-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 51324308
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
N-(4-aminocyclohexyl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
CID 119477453
N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide
CID 11162770

Frequently Asked Questions

What is the IUPAC name of N-(4-oxocyclohexyl)-2-phenoxyacetamide?
The IUPAC name of N-(4-oxocyclohexyl)-2-phenoxyacetamide (CID 43652791) is N-(4-oxocyclohexyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(4-oxocyclohexyl)-2-phenoxyacetamide?
The canonical SMILES for N-(4-oxocyclohexyl)-2-phenoxyacetamide is O=C1CCC(NC(=O)COc2ccccc2)CC1.
What is the InChIKey of N-(4-oxocyclohexyl)-2-phenoxyacetamide?
The InChIKey is BFVFDDCKBQEUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-12-8-6-11(7-9-12)15-14(17)10-18-13-4-2-1-3-5-13/h1-5,11H,6-10H2,(H,15,17).
What are the key properties of N-(4-oxocyclohexyl)-2-phenoxyacetamide?
N-(4-oxocyclohexyl)-2-phenoxyacetamide has a molecular weight of 247.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxocyclohexyl)-2-phenoxyacetamide is sourced from PubChem (CID 43652791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).