1-(4-cyclohexyl-N-methylanilino)propan-2-one

C16H23NO — CID 115234545

IUPAC1-(4-cyclohexyl-N-methylanilino)propan-2-one
SMILESCC(=O)CN(C)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H23NO/c1-13(18)12-17(2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3
InChIKeyWXIFLJMKILXGBU-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.76
Rot. Bonds4

About 1-(4-cyclohexyl-N-methylanilino)propan-2-one

1-(4-cyclohexyl-N-methylanilino)propan-2-one (PubChem CID 115234545) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(4-cyclohexyl-N-methylanilino)propan-2-one.

Molecular Properties

Compound Name1-(4-cyclohexyl-N-methylanilino)propan-2-one
PubChem CID115234545
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(4-cyclohexyl-N-methylanilino)propan-2-one
SMILESCC(=O)CN(C)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H23NO/c1-13(18)12-17(2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3
InChIKeyWXIFLJMKILXGBU-UHFFFAOYSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N'-(4-cyclohexylphenyl)-N'-methylpropane-1,3-diamine
CID 96675502
N-(3-chloropropyl)-4-cyclohexyl-N-methylaniline
CID 115215489
4-cyclopentyl-N,N-dimethylaniline
CID 54506338
1-(4-hydroxy-N-methylanilino)propan-2-one
CID 12814770
methyl 2-[4-[methyl(2-oxopropyl)amino]phenyl]cyclobutane-1-carboxylate
CID 157389788
1-(4-cyclohexylphenyl)-1-(dimethylamino)propan-2-one
CID 116859922
4-cyclobutyl-N,N-dimethylaniline
CID 170179749
1-cyclohexyl-2-(N-methylanilino)ethanone
CID 12697074
4-amino-4-(4-cyclohexylphenyl)butan-2-one
CID 116940518
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 4298976
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine
CID 155134226

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-N-methylanilino)propan-2-one?
The IUPAC name of 1-(4-cyclohexyl-N-methylanilino)propan-2-one (CID 115234545) is 1-(4-cyclohexyl-N-methylanilino)propan-2-one.
What is the SMILES notation for 1-(4-cyclohexyl-N-methylanilino)propan-2-one?
The canonical SMILES for 1-(4-cyclohexyl-N-methylanilino)propan-2-one is CC(=O)CN(C)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexyl-N-methylanilino)propan-2-one?
The InChIKey is WXIFLJMKILXGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13(18)12-17(2)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3.
What are the key properties of 1-(4-cyclohexyl-N-methylanilino)propan-2-one?
1-(4-cyclohexyl-N-methylanilino)propan-2-one has a molecular weight of 245.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-N-methylanilino)propan-2-one is sourced from PubChem (CID 115234545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).