3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one

C24H25NO3 — CID 132592185

IUPAC3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
SMILESCCOc1ccc(C(CC(=O)c2ccc(OC)cc2)Nc2ccccc2)cc1
InChIInChI=1S/C24H25NO3/c1-3-28-22-15-9-18(10-16-22)23(25-20-7-5-4-6-8-20)17-24(26)19-11-13-21(27-2)14-12-19/h4-16,23,25H,3,17H2,1-2H3
InChIKeyCYTGMQDWMGPXQV-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.52
Rot. Bonds9

About 3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one

3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one (PubChem CID 132592185) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
PubChem CID132592185
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
SMILESCCOc1ccc(C(CC(=O)c2ccc(OC)cc2)Nc2ccccc2)cc1
InChIInChI=1S/C24H25NO3/c1-3-28-22-15-9-18(10-16-22)23(25-20-7-5-4-6-8-20)17-24(26)19-11-13-21(27-2)14-12-19/h4-16,23,25H,3,17H2,1-2H3
InChIKeyCYTGMQDWMGPXQV-UHFFFAOYSA-N
XLogP5.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(4-chloroanilino)-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 7290250
3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 12996503
3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 132592048
(3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 100816884
3-(4-ethoxyphenyl)-3-(3-methylanilino)-1-phenylpropan-1-one
CID 132592101
3-anilino-3-(4-methoxyphenyl)-1-(4-nitrophenyl)propan-1-one
CID 2947002
(3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 704697
N-benzyl-4-[[(1R)-1-(4-ethoxyphenyl)-3-oxo-3-phenylpropyl]amino]benzamide
CID 2230393
(3S)-3-(4-bromoanilino)-3-(4-bromophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 100817110
(3S)-1-(4-bromophenyl)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)propan-1-one
CID 94844105
(3R)-3-(4-butoxyphenyl)-3-(4-iodoanilino)-1-(4-methoxyphenyl)propan-1-one
CID 98419479
methyl 3-anilino-3-(4-methoxyphenyl)propanoate
CID 146162562

Frequently Asked Questions

What is the IUPAC name of 3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one (CID 132592185) is 3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one is CCOc1ccc(C(CC(=O)c2ccc(OC)cc2)Nc2ccccc2)cc1.
What is the InChIKey of 3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is CYTGMQDWMGPXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-3-28-22-15-9-18(10-16-22)23(25-20-7-5-4-6-8-20)17-24(26)19-11-13-21(27-2)14-12-19/h4-16,23,25H,3,17H2,1-2H3.
What are the key properties of 3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one?
3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 375.47 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 132592185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).