(3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one

C24H25NO2 — CID 100816884

IUPAC(3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
SMILESCCc1ccc(N[C@H](CC(=O)c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H25NO2/c1-3-18-9-13-21(14-10-18)25-23(19-11-15-22(27-2)16-12-19)17-24(26)20-7-5-4-6-8-20/h4-16,23,25H,3,17H2,1-2H3/t23-/m1/s1
InChIKeyINNSJJVZVZYKBN-HSZRJFAPSA-N
MW359.47 g/mol
LogP5.68
Rot. Bonds8

About (3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one

(3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one (PubChem CID 100816884) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
PubChem CID100816884
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
SMILESCCc1ccc(N[C@H](CC(=O)c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H25NO2/c1-3-18-9-13-21(14-10-18)25-23(19-11-15-22(27-2)16-12-19)17-24(26)20-7-5-4-6-8-20/h4-16,23,25H,3,17H2,1-2H3/t23-/m1/s1
InChIKeyINNSJJVZVZYKBN-HSZRJFAPSA-N
XLogP5.68
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 ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromoanilino)-1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 584014
(3S)-3-(4-fluoroanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 704697
3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 132592185
3-anilino-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 12996503
3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 15639389
(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
3-(4-ethylanilino)-1-(4-ethylphenyl)-3-(4-iodophenyl)propan-1-one
CID 4010443
(3R)-3-anilino-1-(4-ethylphenyl)-3-(4-methylsulfanylphenyl)propan-1-one
CID 39368809
3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 132592048
3-anilino-3-(4-methoxyphenyl)-1-(4-nitrophenyl)propan-1-one
CID 2947002
1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one
CID 154717560

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one?
The IUPAC name of (3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one (CID 100816884) is (3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one.
What is the SMILES notation for (3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one?
The canonical SMILES for (3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one is CCc1ccc(N[C@H](CC(=O)c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one?
The InChIKey is INNSJJVZVZYKBN-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25NO2/c1-3-18-9-13-21(14-10-18)25-23(19-11-15-22(27-2)16-12-19)17-24(26)20-7-5-4-6-8-20/h4-16,23,25H,3,17H2,1-2H3/t23-/m1/s1.
What are the key properties of (3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one?
(3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one has a molecular weight of 359.47 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-ethylanilino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 100816884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).