3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one

C24H25NO2 — CID 132592048

IUPAC3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
SMILESCCOc1ccc(C(CC(=O)c2ccccc2)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C24H25NO2/c1-3-27-22-15-11-19(12-16-22)23(25-21-13-9-18(2)10-14-21)17-24(26)20-7-5-4-6-8-20/h4-16,23,25H,3,17H2,1-2H3
InChIKeyLTMJTVNTUWHIPY-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.82
Rot. Bonds8

About 3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one

3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one (PubChem CID 132592048) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
PubChem CID132592048
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
SMILESCCOc1ccc(C(CC(=O)c2ccccc2)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C24H25NO2/c1-3-27-22-15-11-19(12-16-22)23(25-21-13-9-18(2)10-14-21)17-24(26)20-7-5-4-6-8-20/h4-16,23,25H,3,17H2,1-2H3
InChIKeyLTMJTVNTUWHIPY-UHFFFAOYSA-N
XLogP5.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromoanilino)-3-(4-ethoxyphenyl)-1-(4-methylphenyl)propan-1-one
CID 132593499
3-(4-ethoxyphenyl)-3-(3-methylanilino)-1-phenylpropan-1-one
CID 132592101
3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 132592185
3-(4-methylanilino)-1,3-diphenylpropan-1-one;hydrochloride
CID 2933530
N-benzyl-4-[[(1R)-1-(4-ethoxyphenyl)-3-oxo-3-phenylpropyl]amino]benzamide
CID 2230393
3-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-1-(4-methylphenyl)propan-1-one
CID 132593520
(3R)-3-(4-fluorophenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 766742
3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 132592034
3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one
CID 132593466
3-(4-butoxyphenyl)-3-(4-iodoanilino)-1-phenylpropan-1-one
CID 3897181
(3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 7290250
(3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 100816884

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one?
The IUPAC name of 3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one (CID 132592048) is 3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one is CCOc1ccc(C(CC(=O)c2ccccc2)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one?
The InChIKey is LTMJTVNTUWHIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-3-27-22-15-11-19(12-16-22)23(25-21-13-9-18(2)10-14-21)17-24(26)20-7-5-4-6-8-20/h4-16,23,25H,3,17H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one?
3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one has a molecular weight of 359.47 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one is sourced from PubChem (CID 132592048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).