2-anilino-1-(2,4-dimethoxyphenyl)ethanone

C16H17NO3 — CID 94281074

IUPAC2-anilino-1-(2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CNc2ccccc2)c(OC)c1
InChIInChI=1S/C16H17NO3/c1-19-13-8-9-14(16(10-13)20-2)15(18)11-17-12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3
InChIKeyNDFKWDVKSQVXQC-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.00
Rot. Bonds6

About 2-anilino-1-(2,4-dimethoxyphenyl)ethanone

2-anilino-1-(2,4-dimethoxyphenyl)ethanone (PubChem CID 94281074) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-anilino-1-(2,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-anilino-1-(2,4-dimethoxyphenyl)ethanone
PubChem CID94281074
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-anilino-1-(2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CNc2ccccc2)c(OC)c1
InChIInChI=1S/C16H17NO3/c1-19-13-8-9-14(16(10-13)20-2)15(18)11-17-12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3
InChIKeyNDFKWDVKSQVXQC-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

2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 23409029
2-anilino-1-(3,5-dimethoxyphenyl)ethanone
CID 116555372
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
1-(2,4-dimethoxyphenyl)-4,4-difluorobutane-1,3-dione
CID 43118287
1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone
CID 94271270
(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate
CID 2409406
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2-anilino-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691812
N-(4-anilinobutyl)-2-methoxy-4-phenoxybenzamide;hydrochloride
CID 69329506
2-(3-methoxyanilino)-1-(4-methoxyphenyl)ethanone
CID 1133350
1-(2,4-dimethoxyphenyl)-2-methyl-2-phenylpropan-1-one
CID 63084833

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-(2,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-anilino-1-(2,4-dimethoxyphenyl)ethanone (CID 94281074) is 2-anilino-1-(2,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-anilino-1-(2,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-anilino-1-(2,4-dimethoxyphenyl)ethanone is COc1ccc(C(=O)CNc2ccccc2)c(OC)c1.
What is the InChIKey of 2-anilino-1-(2,4-dimethoxyphenyl)ethanone?
The InChIKey is NDFKWDVKSQVXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-13-8-9-14(16(10-13)20-2)15(18)11-17-12-6-4-3-5-7-12/h3-10,17H,11H2,1-2H3.
What are the key properties of 2-anilino-1-(2,4-dimethoxyphenyl)ethanone?
2-anilino-1-(2,4-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-(2,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 94281074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).