2-anilino-1-(4-ethylcyclohexyl)ethanone

C16H23NO — CID 116555398

IUPAC2-anilino-1-(4-ethylcyclohexyl)ethanone
SMILESCCC1CCC(C(=O)CNc2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-2-13-8-10-14(11-9-13)16(18)12-17-15-6-4-3-5-7-15/h3-7,13-14,17H,2,8-12H2,1H3
InChIKeyDGEPRLZJRQZUKO-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.88
Rot. Bonds5

About 2-anilino-1-(4-ethylcyclohexyl)ethanone

2-anilino-1-(4-ethylcyclohexyl)ethanone (PubChem CID 116555398) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-anilino-1-(4-ethylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-anilino-1-(4-ethylcyclohexyl)ethanone
PubChem CID116555398
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-anilino-1-(4-ethylcyclohexyl)ethanone
SMILESCCC1CCC(C(=O)CNc2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-2-13-8-10-14(11-9-13)16(18)12-17-15-6-4-3-5-7-15/h3-7,13-14,17H,2,8-12H2,1H3
InChIKeyDGEPRLZJRQZUKO-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-N-(4-ethylcyclohexyl)acetamide
CID 61470089
2-anilino-1-cyclobutylethanone
CID 116555468
2-anilino-1-(4-ethylazepan-1-yl)ethanone;hydrochloride
CID 119794892
1-anilino-3-cyclopropylpropan-2-one
CID 116555451
2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 64776634
2-[(4-ethylcyclohexyl)amino]-N-phenylacetamide
CID 60958245
3-(anilinomethyl)cyclopentane-1-carboxylic acid
CID 105474187
phenyl 4-ethylcyclohexane-1-carboxylate
CID 53401345
1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone
CID 65393715
2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103812443
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
N-[[4-(anilinomethyl)cyclohexyl]methyl]aniline;ethane;methanol
CID 143136691

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(4-ethylcyclohexyl)ethanone?
The IUPAC name of 2-anilino-1-(4-ethylcyclohexyl)ethanone (CID 116555398) is 2-anilino-1-(4-ethylcyclohexyl)ethanone.
What is the SMILES notation for 2-anilino-1-(4-ethylcyclohexyl)ethanone?
The canonical SMILES for 2-anilino-1-(4-ethylcyclohexyl)ethanone is CCC1CCC(C(=O)CNc2ccccc2)CC1.
What is the InChIKey of 2-anilino-1-(4-ethylcyclohexyl)ethanone?
The InChIKey is DGEPRLZJRQZUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-13-8-10-14(11-9-13)16(18)12-17-15-6-4-3-5-7-15/h3-7,13-14,17H,2,8-12H2,1H3.
What are the key properties of 2-anilino-1-(4-ethylcyclohexyl)ethanone?
2-anilino-1-(4-ethylcyclohexyl)ethanone has a molecular weight of 245.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-(4-ethylcyclohexyl)ethanone is sourced from PubChem (CID 116555398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).