4-(4-oxocyclohexyl)oxybenzamide

C13H15NO3 — CID 18445301

IUPAC4-(4-oxocyclohexyl)oxybenzamide
SMILESNC(=O)c1ccc(OC2CCC(=O)CC2)cc1
InChIInChI=1S/C13H15NO3/c14-13(16)9-1-5-11(6-2-9)17-12-7-3-10(15)4-8-12/h1-2,5-6,12H,3-4,7-8H2,(H2,14,16)
InChIKeyJDCKFZKIONSZHJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.68
Rot. Bonds3

About 4-(4-oxocyclohexyl)oxybenzamide

4-(4-oxocyclohexyl)oxybenzamide (PubChem CID 18445301) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(4-oxocyclohexyl)oxybenzamide.

Molecular Properties

Compound Name4-(4-oxocyclohexyl)oxybenzamide
PubChem CID18445301
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name4-(4-oxocyclohexyl)oxybenzamide
SMILESNC(=O)c1ccc(OC2CCC(=O)CC2)cc1
InChIInChI=1S/C13H15NO3/c14-13(16)9-1-5-11(6-2-9)17-12-7-3-10(15)4-8-12/h1-2,5-6,12H,3-4,7-8H2,(H2,14,16)
InChIKeyJDCKFZKIONSZHJ-UHFFFAOYSA-N
XLogP1.68
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-oxocyclopentyl)oxybenzamide
CID 79644045
4-cycloheptyloxybenzamide
CID 141109251
4-(4-hydroxyphenoxy)cyclohexan-1-one
CID 18359489
4-(4-chlorophenoxy)cyclohexan-1-one
CID 58923771
4-(4-methoxyphenoxy)cyclohexan-1-one
CID 22467175
4-[(3R)-piperidin-3-yl]oxybenzamide
CID 42553466
(1-aminocyclopropyl)-(4-cyclopropyloxyphenyl)methanone
CID 114520626
4-(4-carbamoylphenoxy)benzamide
CID 156597124
4-(3-cyclopentyloxyphenoxy)benzamide;formic acid
CID 69120373
(4-oxocyclohexyl) carbamate
CID 68755566
3-cyclopentyloxybenzamide
CID 71932153
4-(3-oxocyclopentyl)oxy-3-(trifluoromethyl)benzamide
CID 115468230

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxocyclohexyl)oxybenzamide?
The IUPAC name of 4-(4-oxocyclohexyl)oxybenzamide (CID 18445301) is 4-(4-oxocyclohexyl)oxybenzamide.
What is the SMILES notation for 4-(4-oxocyclohexyl)oxybenzamide?
The canonical SMILES for 4-(4-oxocyclohexyl)oxybenzamide is NC(=O)c1ccc(OC2CCC(=O)CC2)cc1.
What is the InChIKey of 4-(4-oxocyclohexyl)oxybenzamide?
The InChIKey is JDCKFZKIONSZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c14-13(16)9-1-5-11(6-2-9)17-12-7-3-10(15)4-8-12/h1-2,5-6,12H,3-4,7-8H2,(H2,14,16).
What are the key properties of 4-(4-oxocyclohexyl)oxybenzamide?
4-(4-oxocyclohexyl)oxybenzamide has a molecular weight of 233.27 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxocyclohexyl)oxybenzamide is sourced from PubChem (CID 18445301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).