N-(4-oxocyclohexyl)-2-phenylacetamide

C14H17NO2 — CID 43652835

IUPACN-(4-oxocyclohexyl)-2-phenylacetamide
SMILESO=C1CCC(NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C14H17NO2/c16-13-8-6-12(7-9-13)15-14(17)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17)
InChIKeyNJVXPCPFQGNIFG-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.86
Rot. Bonds3

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

N-(4-oxocyclohexyl)-2-phenylacetamide (PubChem CID 43652835) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(4-oxocyclohexyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-oxocyclohexyl)-2-phenylacetamide
PubChem CID43652835
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN-(4-oxocyclohexyl)-2-phenylacetamide
SMILESO=C1CCC(NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C14H17NO2/c16-13-8-6-12(7-9-13)15-14(17)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17)
InChIKeyNJVXPCPFQGNIFG-UHFFFAOYSA-N
XLogP1.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-phenylacetamide
CID 5175687
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
2-phenyl-N-piperidin-4-ylacetamide
CID 1445168
3-(2-methylphenyl)-N-(4-oxocyclohexyl)propanamide
CID 62365696
N-(4-cyanocyclohexyl)-2-phenylacetamide
CID 115270171
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966
(4-oxocyclohexyl) 2-phenylacetate
CID 175483439
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
N-[1-(4-hydroxyphenyl)piperidin-4-yl]-2-phenylacetamide
CID 171351771

Frequently Asked Questions

What is the IUPAC name of N-(4-oxocyclohexyl)-2-phenylacetamide?
The IUPAC name of N-(4-oxocyclohexyl)-2-phenylacetamide (CID 43652835) is N-(4-oxocyclohexyl)-2-phenylacetamide.
What is the SMILES notation for N-(4-oxocyclohexyl)-2-phenylacetamide?
The canonical SMILES for N-(4-oxocyclohexyl)-2-phenylacetamide is O=C1CCC(NC(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-(4-oxocyclohexyl)-2-phenylacetamide?
The InChIKey is NJVXPCPFQGNIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-13-8-6-12(7-9-13)15-14(17)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,17).
What are the key properties of N-(4-oxocyclohexyl)-2-phenylacetamide?
N-(4-oxocyclohexyl)-2-phenylacetamide has a molecular weight of 231.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxocyclohexyl)-2-phenylacetamide is sourced from PubChem (CID 43652835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).