1-cyclohexyl-2-(N-methylanilino)ethanone

C15H21NO — CID 12697074

IUPAC1-cyclohexyl-2-(N-methylanilino)ethanone
SMILESCN(CC(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C15H21NO/c1-16(14-10-6-3-7-11-14)12-15(17)13-8-4-2-5-9-13/h3,6-7,10-11,13H,2,4-5,8-9,12H2,1H3
InChIKeyIFTUCHVCBKSXCZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.27
Rot. Bonds4

About 1-cyclohexyl-2-(N-methylanilino)ethanone

1-cyclohexyl-2-(N-methylanilino)ethanone (PubChem CID 12697074) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-cyclohexyl-2-(N-methylanilino)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(N-methylanilino)ethanone
PubChem CID12697074
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-cyclohexyl-2-(N-methylanilino)ethanone
SMILESCN(CC(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C15H21NO/c1-16(14-10-6-3-7-11-14)12-15(17)13-8-4-2-5-9-13/h3,6-7,10-11,13H,2,4-5,8-9,12H2,1H3
InChIKeyIFTUCHVCBKSXCZ-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-(3-fluoro-N-methylanilino)ethanone
CID 104750304
1-cyclopentyl-2-(N,3-dimethylanilino)ethanone
CID 104750297
1-cyclohexyl-2-(dibenzylamino)ethanone
CID 130167125
N-hydroxy-N-phenylcycloheptanecarboxamide
CID 131974748
1-(3-cyclohexylpyrrolidin-1-yl)-2-(N-methylanilino)ethanone
CID 154783657
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
1-cyclohexyl-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 104750407
ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate
CID 78782540
4-(N-methylanilino)-3-oxobutanal
CID 134923271
N-butan-2-yl-N-phenylcyclohexanecarboxamide
CID 153425263
1-cycloheptyl-3-phenoxypropan-1-one
CID 82932359
1-(4-cyclohexyl-N-methylanilino)propan-2-one
CID 115234545

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(N-methylanilino)ethanone?
The IUPAC name of 1-cyclohexyl-2-(N-methylanilino)ethanone (CID 12697074) is 1-cyclohexyl-2-(N-methylanilino)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(N-methylanilino)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(N-methylanilino)ethanone is CN(CC(=O)C1CCCCC1)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-2-(N-methylanilino)ethanone?
The InChIKey is IFTUCHVCBKSXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-16(14-10-6-3-7-11-14)12-15(17)13-8-4-2-5-9-13/h3,6-7,10-11,13H,2,4-5,8-9,12H2,1H3.
What are the key properties of 1-cyclohexyl-2-(N-methylanilino)ethanone?
1-cyclohexyl-2-(N-methylanilino)ethanone has a molecular weight of 231.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(N-methylanilino)ethanone is sourced from PubChem (CID 12697074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).