2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide

C13H17NO3 — CID 78792072

IUPAC2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N(C)C
InChIInChI=1S/C13H17NO3/c1-9(15)10-5-6-12(17-4)11(7-10)8-13(16)14(2)3/h5-7H,8H2,1-4H3
InChIKeyDYFINACXPRWNTH-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.53
Rot. Bonds4

About 2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide

2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide (PubChem CID 78792072) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
PubChem CID78792072
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N(C)C
InChIInChI=1S/C13H17NO3/c1-9(15)10-5-6-12(17-4)11(7-10)8-13(16)14(2)3/h5-7H,8H2,1-4H3
InChIKeyDYFINACXPRWNTH-UHFFFAOYSA-N
XLogP1.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide
CID 134006092
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-(5-acetyl-2-methoxyphenyl)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 31152699
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78803448
1-[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]ethanone
CID 63965306
2-(5-acetyl-2-methoxyphenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 39735841
2-[(5-acetyl-2-methoxyphenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62923869
2-(5-acetyl-2-methoxyphenyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide
CID 86839469
1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone
CID 60893124
2-(5-acetyl-2-methoxyphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 30867500
1-[3-[[3-hydroxybutyl(methyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 115665994

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide (CID 78792072) is 2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide is COc1ccc(C(C)=O)cc1CC(=O)N(C)C.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide?
The InChIKey is DYFINACXPRWNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(15)10-5-6-12(17-4)11(7-10)8-13(16)14(2)3/h5-7H,8H2,1-4H3.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide?
2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide has a molecular weight of 235.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-N,N-dimethylacetamide is sourced from PubChem (CID 78792072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).