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

C16H17NO2 — CID 766931

IUPAC3-anilino-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCNc2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-19-15-9-7-13(8-10-15)16(18)11-12-17-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3
InChIKeyFMIAUGBICOAAQJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.38
Rot. Bonds6

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

3-anilino-1-(4-methoxyphenyl)propan-1-one (PubChem CID 766931) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-anilino-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-anilino-1-(4-methoxyphenyl)propan-1-one
PubChem CID766931
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-anilino-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)CCNc2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-19-15-9-7-13(8-10-15)16(18)11-12-17-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3
InChIKeyFMIAUGBICOAAQJ-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one
CID 975228
3-[4-[(2R)-butan-2-yl]anilino]-1-(4-methoxyphenyl)propan-1-one
CID 41098265
2-[4-[(3-oxo-3-phenylpropyl)amino]phenoxy]acetic acid
CID 146590896
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 52710157
3-(4-ethylanilino)-1-phenylpropan-1-one
CID 17383220
[2-(4-methoxyphenyl)-2-oxoethyl] N-phenylcarbamate
CID 58710916
benzyl 4-(4-methoxyphenyl)-4-oxobutanoate
CID 14321218
4-(4-methoxyphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 49018701
3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 122190796
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009

Frequently Asked Questions

What is the IUPAC name of 3-anilino-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 3-anilino-1-(4-methoxyphenyl)propan-1-one (CID 766931) is 3-anilino-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-anilino-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-anilino-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)CCNc2ccccc2)cc1.
What is the InChIKey of 3-anilino-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is FMIAUGBICOAAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-15-9-7-13(8-10-15)16(18)11-12-17-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3.
What are the key properties of 3-anilino-1-(4-methoxyphenyl)propan-1-one?
3-anilino-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 255.32 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 766931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).