3-anilino-3-(1-methoxycyclohexyl)-1-(4-methylphenyl)prop-2-en-1-one

C23H27NO2 — CID 2833913

IUPAC3-anilino-3-(1-methoxycyclohexyl)-1-(4-methylphenyl)prop-2-en-1-one
SMILESCOC1(C(=CC(=O)c2ccc(C)cc2)Nc2ccccc2)CCCCC1
InChIInChI=1S/C23H27NO2/c1-18-11-13-19(14-12-18)21(25)17-22(24-20-9-5-3-6-10-20)23(26-2)15-7-4-8-16-23/h3,5-6,9-14,17,24H,4,7-8,15-16H2,1-2H3
InChIKeySFGBHERZFHZJCG-UHFFFAOYSA-N
MW349.47 g/mol
LogP5.52
Rot. Bonds6

About 3-anilino-3-(1-methoxycyclohexyl)-1-(4-methylphenyl)prop-2-en-1-one

3-anilino-3-(1-methoxycyclohexyl)-1-(4-methylphenyl)prop-2-en-1-one (PubChem CID 2833913) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 3-anilino-3-(1-methoxycyclohexyl)-1-(4-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-anilino-3-(1-methoxycyclohexyl)-1-(4-methylphenyl)prop-2-en-1-one
PubChem CID2833913
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name3-anilino-3-(1-methoxycyclohexyl)-1-(4-methylphenyl)prop-2-en-1-one
SMILESCOC1(C(=CC(=O)c2ccc(C)cc2)Nc2ccccc2)CCCCC1
InChIInChI=1S/C23H27NO2/c1-18-11-13-19(14-12-18)21(25)17-22(24-20-9-5-3-6-10-20)23(26-2)15-7-4-8-16-23/h3,5-6,9-14,17,24H,4,7-8,15-16H2,1-2H3
InChIKeySFGBHERZFHZJCG-UHFFFAOYSA-N
XLogP5.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-anilino-3-(1-methoxycyclohexyl)-1-(4-methylphenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-3-(1-methoxycyclohexyl)-1-phenylprop-2-en-1-one
CID 781107
(E)-3-anilino-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
CID 22305442
(1-methoxycyclopentyl)-(4-methylphenyl)methanone
CID 104610071
(Z)-3-anilino-1-(4-methylphenyl)-3-methylsulfanylprop-2-en-1-one
CID 13238136
3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 4672353
2-(4-methylanilino)-4-(4-methylphenyl)-4-oxobut-2-enoic acid
CID 2933446
methyl 2-anilino-4-oxo-4-phenylbut-2-enoate
CID 790046
(1-methoxycyclohexyl)-naphthalen-2-ylmethanone
CID 116747974
(1-methoxycycloheptyl)-naphthalen-2-ylmethanone
CID 116750403
(Z)-3-anilino-4-methoxy-4-methyl-1-phenylpent-2-en-1-one
CID 91872186
3-(4-methylanilino)-1,4-diphenylbut-2-en-1-one
CID 4311429
(E)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 21160961

Frequently Asked Questions

What is the IUPAC name of 3-anilino-3-(1-methoxycyclohexyl)-1-(4-methylphenyl)prop-2-en-1-one?
The IUPAC name of 3-anilino-3-(1-methoxycyclohexyl)-1-(4-methylphenyl)prop-2-en-1-one (CID 2833913) is 3-anilino-3-(1-methoxycyclohexyl)-1-(4-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-anilino-3-(1-methoxycyclohexyl)-1-(4-methylphenyl)prop-2-en-1-one?
The canonical SMILES for 3-anilino-3-(1-methoxycyclohexyl)-1-(4-methylphenyl)prop-2-en-1-one is COC1(C(=CC(=O)c2ccc(C)cc2)Nc2ccccc2)CCCCC1.
What is the InChIKey of 3-anilino-3-(1-methoxycyclohexyl)-1-(4-methylphenyl)prop-2-en-1-one?
The InChIKey is SFGBHERZFHZJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-18-11-13-19(14-12-18)21(25)17-22(24-20-9-5-3-6-10-20)23(26-2)15-7-4-8-16-23/h3,5-6,9-14,17,24H,4,7-8,15-16H2,1-2H3.
What are the key properties of 3-anilino-3-(1-methoxycyclohexyl)-1-(4-methylphenyl)prop-2-en-1-one?
3-anilino-3-(1-methoxycyclohexyl)-1-(4-methylphenyl)prop-2-en-1-one has a molecular weight of 349.47 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-3-(1-methoxycyclohexyl)-1-(4-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 2833913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).