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

C17H19NO — CID 17383220

IUPAC3-(4-ethylanilino)-1-phenylpropan-1-one
SMILESCCc1ccc(NCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-2-14-8-10-16(11-9-14)18-13-12-17(19)15-6-4-3-5-7-15/h3-11,18H,2,12-13H2,1H3
InChIKeyXOQXVEQCYPNOSH-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.93
Rot. Bonds6

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

3-(4-ethylanilino)-1-phenylpropan-1-one (PubChem CID 17383220) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(4-ethylanilino)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-ethylanilino)-1-phenylpropan-1-one
PubChem CID17383220
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name3-(4-ethylanilino)-1-phenylpropan-1-one
SMILESCCc1ccc(NCCC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-2-14-8-10-16(11-9-14)18-13-12-17(19)15-6-4-3-5-7-15/h3-11,18H,2,12-13H2,1H3
InChIKeyXOQXVEQCYPNOSH-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethylanilino)-1-(4-phenylphenyl)propan-1-one
CID 4097731
4-[(3-oxo-3-phenylpropyl)amino]benzonitrile
CID 94268936
2-[4-[(3-oxo-3-phenylpropyl)amino]phenoxy]acetic acid
CID 146590896
3-anilino-1-(4-methoxyphenyl)propan-1-one
CID 766931
N-(4-ethylphenyl)benzamide
CID 774063
3-(ethylamino)-1-(4-ethylphenyl)propan-1-one
CID 94255299
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
1-(4-bromophenyl)-3-(4-phenylanilino)propan-1-one
CID 602905
N-(4-acetamidophenyl)-3-(4-ethylanilino)propanamide
CID 109036380
N-(4-ethylphenyl)-3-(4-methylanilino)propanamide
CID 109034443
methyl 4-[[3-(4-ethylanilino)-3-oxopropyl]amino]benzoate
CID 109036302
ethane;3-(methylamino)-1-phenylpropan-1-one
CID 91239900

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylanilino)-1-phenylpropan-1-one?
The IUPAC name of 3-(4-ethylanilino)-1-phenylpropan-1-one (CID 17383220) is 3-(4-ethylanilino)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(4-ethylanilino)-1-phenylpropan-1-one?
The canonical SMILES for 3-(4-ethylanilino)-1-phenylpropan-1-one is CCc1ccc(NCCC(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(4-ethylanilino)-1-phenylpropan-1-one?
The InChIKey is XOQXVEQCYPNOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-14-8-10-16(11-9-14)18-13-12-17(19)15-6-4-3-5-7-15/h3-11,18H,2,12-13H2,1H3.
What are the key properties of 3-(4-ethylanilino)-1-phenylpropan-1-one?
3-(4-ethylanilino)-1-phenylpropan-1-one has a molecular weight of 253.34 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylanilino)-1-phenylpropan-1-one is sourced from PubChem (CID 17383220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).