2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone

C16H17NO3 — CID 1133350

IUPAC2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CNc2cccc(OC)c2)cc1
InChIInChI=1S/C16H17NO3/c1-19-14-8-6-12(7-9-14)16(18)11-17-13-4-3-5-15(10-13)20-2/h3-10,17H,11H2,1-2H3
InChIKeyCQKLXSVRKSZYMF-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.00
Rot. Bonds6

About 2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone

2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone (PubChem CID 1133350) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone
PubChem CID1133350
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CNc2cccc(OC)c2)cc1
InChIInChI=1S/C16H17NO3/c1-19-14-8-6-12(7-9-14)16(18)11-17-13-4-3-5-15(10-13)20-2/h3-10,17H,11H2,1-2H3
InChIKeyCQKLXSVRKSZYMF-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-amino-4-methylphenyl)-2-(3-methoxyanilino)ethanone
CID 96667576
2-[3-(1,3-benzothiazol-2-yl)anilino]-1-(4-methoxyphenyl)ethanone
CID 110825743
2-anilino-1-(3,5-dimethoxyphenyl)ethanone
CID 116555372
2-[3-(hydroxymethyl)anilino]-1-(4-phenoxyphenyl)ethanone
CID 67203134
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
CID 54814576
1-(4-methoxyphenyl)-2-(2-methylanilino)ethanone
CID 94271266
4-(3-methoxyanilino)but-2-ynoic acid
CID 115023873
2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 39335252
2-(3-chloro-4-nitroanilino)-1-(4-methoxyphenyl)ethanone
CID 110823671
2-(3-methoxyanilino)-1-[2-(2-pyrrolidin-1-ylacetyl)phenyl]ethanone
CID 118485437
2-(3-methoxyanilino)-N,N-bis(prop-2-enyl)acetamide
CID 54814741
2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646925

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone (CID 1133350) is 2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CNc2cccc(OC)c2)cc1.
What is the InChIKey of 2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone?
The InChIKey is CQKLXSVRKSZYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-14-8-6-12(7-9-14)16(18)11-17-13-4-3-5-15(10-13)20-2/h3-10,17H,11H2,1-2H3.
What are the key properties of 2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone?
2-(3-methoxyanilino)-1-(4-methoxyphenyl)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-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 1133350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).