2-anilino-1-(3,5-dimethoxyphenyl)ethanone

C16H17NO3 — CID 116555372

IUPAC2-anilino-1-(3,5-dimethoxyphenyl)ethanone
SMILESCOc1cc(OC)cc(C(=O)CNc2ccccc2)c1
InChIInChI=1S/C16H17NO3/c1-19-14-8-12(9-15(10-14)20-2)16(18)11-17-13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3
InChIKeyXZNCWJTZXKUYLZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.00
Rot. Bonds6

About 2-anilino-1-(3,5-dimethoxyphenyl)ethanone

2-anilino-1-(3,5-dimethoxyphenyl)ethanone (PubChem CID 116555372) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-anilino-1-(3,5-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-anilino-1-(3,5-dimethoxyphenyl)ethanone
PubChem CID116555372
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-anilino-1-(3,5-dimethoxyphenyl)ethanone
SMILESCOc1cc(OC)cc(C(=O)CNc2ccccc2)c1
InChIInChI=1S/C16H17NO3/c1-19-14-8-12(9-15(10-14)20-2)16(18)11-17-13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3
InChIKeyXZNCWJTZXKUYLZ-UHFFFAOYSA-N
XLogP3.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
2-anilino-N-(3,5-dimethoxyphenyl)acetamide
CID 51178238
2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
CID 2749284
2-anilino-1-(2,4-dimethoxyphenyl)ethanone
CID 94281074
2-anilino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 119710193
2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone
CID 1133350
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-anilino-1-(4-hydroxyphenyl)ethanone
CID 11379161
2-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]benzoic acid
CID 10756617
3-anilino-1-(4-methoxyphenyl)propan-1-one
CID 766931
2-(4-methylanilino)-1-phenylethanone
CID 4230722
3,5-dimethoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983238

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(3,5-dimethoxyphenyl)ethanone?
The IUPAC name of 2-anilino-1-(3,5-dimethoxyphenyl)ethanone (CID 116555372) is 2-anilino-1-(3,5-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-anilino-1-(3,5-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-anilino-1-(3,5-dimethoxyphenyl)ethanone is COc1cc(OC)cc(C(=O)CNc2ccccc2)c1.
What is the InChIKey of 2-anilino-1-(3,5-dimethoxyphenyl)ethanone?
The InChIKey is XZNCWJTZXKUYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-14-8-12(9-15(10-14)20-2)16(18)11-17-13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3.
What are the key properties of 2-anilino-1-(3,5-dimethoxyphenyl)ethanone?
2-anilino-1-(3,5-dimethoxyphenyl)ethanone has a molecular weight of 271.32 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-(3,5-dimethoxyphenyl)ethanone is sourced from PubChem (CID 116555372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).