(4-acetamidophenyl) 2-cyclohexylacetate

C16H21NO3 — CID 51152581

IUPAC(4-acetamidophenyl) 2-cyclohexylacetate
SMILESCC(=O)Nc1ccc(OC(=O)CC2CCCCC2)cc1
InChIInChI=1S/C16H21NO3/c1-12(18)17-14-7-9-15(10-8-14)20-16(19)11-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,18)
InChIKeyDFERLHHEGCOWQX-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.52
Rot. Bonds4

About (4-acetamidophenyl) 2-cyclohexylacetate

(4-acetamidophenyl) 2-cyclohexylacetate (PubChem CID 51152581) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (4-acetamidophenyl) 2-cyclohexylacetate.

Molecular Properties

Compound Name(4-acetamidophenyl) 2-cyclohexylacetate
PubChem CID51152581
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(4-acetamidophenyl) 2-cyclohexylacetate
SMILESCC(=O)Nc1ccc(OC(=O)CC2CCCCC2)cc1
InChIInChI=1S/C16H21NO3/c1-12(18)17-14-7-9-15(10-8-14)20-16(19)11-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,18)
InChIKeyDFERLHHEGCOWQX-UHFFFAOYSA-N
XLogP3.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

bis(4-acetamidophenyl) propanedioate
CID 58435595
pyridin-4-yl 2-cyclohexylacetate
CID 67828041
4-acetamido-N-(cyclohexylmethyl)benzamide
CID 2096141
[4-(2-cyclopentylacetyl)oxyphenyl]methyl 2-methylpropanoate
CID 171426102
(4-acetamidophenyl) 3-piperidin-1-ylpropanoate;hydrochloride
CID 56680027
N-[4-[[(2-cyclopentylacetyl)amino]carbamoyl]phenyl]acetamide
CID 54786522
2-(4-acetamidophenoxy)-N-cyclooctylacetamide
CID 112774945
2-cyclohexyl-N-(4-phenoxyphenyl)acetamide
CID 806029
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-cyclohexylacetate
CID 35776405
[2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 7722315
N-(4-butoxyphenyl)-2-cyclopentylacetamide
CID 54786143
2-cyclopentyl-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54786144

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) 2-cyclohexylacetate?
The IUPAC name of (4-acetamidophenyl) 2-cyclohexylacetate (CID 51152581) is (4-acetamidophenyl) 2-cyclohexylacetate.
What is the SMILES notation for (4-acetamidophenyl) 2-cyclohexylacetate?
The canonical SMILES for (4-acetamidophenyl) 2-cyclohexylacetate is CC(=O)Nc1ccc(OC(=O)CC2CCCCC2)cc1.
What is the InChIKey of (4-acetamidophenyl) 2-cyclohexylacetate?
The InChIKey is DFERLHHEGCOWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(18)17-14-7-9-15(10-8-14)20-16(19)11-13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,17,18).
What are the key properties of (4-acetamidophenyl) 2-cyclohexylacetate?
(4-acetamidophenyl) 2-cyclohexylacetate has a molecular weight of 275.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) 2-cyclohexylacetate is sourced from PubChem (CID 51152581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).