N-(2-acetyl-4,5-dimethoxyphenyl)-2-methylpropanamide

C14H19NO4 — CID 70092647

IUPACN-(2-acetyl-4,5-dimethoxyphenyl)-2-methylpropanamide
SMILESCOc1cc(NC(=O)C(C)C)c(C(C)=O)cc1OC
InChIInChI=1S/C14H19NO4/c1-8(2)14(17)15-11-7-13(19-5)12(18-4)6-10(11)9(3)16/h6-8H,1-5H3,(H,15,17)
InChIKeyGROSGBBHWDCALT-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.50
Rot. Bonds5

About N-(2-acetyl-4,5-dimethoxyphenyl)-2-methylpropanamide

N-(2-acetyl-4,5-dimethoxyphenyl)-2-methylpropanamide (PubChem CID 70092647) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(2-acetyl-4,5-dimethoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-acetyl-4,5-dimethoxyphenyl)-2-methylpropanamide
PubChem CID70092647
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-(2-acetyl-4,5-dimethoxyphenyl)-2-methylpropanamide
SMILESCOc1cc(NC(=O)C(C)C)c(C(C)=O)cc1OC
InChIInChI=1S/C14H19NO4/c1-8(2)14(17)15-11-7-13(19-5)12(18-4)6-10(11)9(3)16/h6-8H,1-5H3,(H,15,17)
InChIKeyGROSGBBHWDCALT-UHFFFAOYSA-N
XLogP2.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4,5-dimethoxyphenyl)-2-methylpropanamide
CID 46568251
4,5-dimethoxy-2-(propan-2-ylcarbamoylamino)benzoic acid
CID 28737773
methyl 4,5-dimethoxy-2-(2-methylbutanoylamino)benzoate
CID 46511325
4,5-dimethoxy-2-[[(2S)-2-methylbutanoyl]amino]benzoate
CID 2221824
N-(2-acetyl-4,5-dimethoxyphenyl)methanesulfonamide
CID 70115907
N-(4-methoxy-2,3-dimethylphenyl)-2-methylpropanamide
CID 110777719
N-(2-acetyl-4,5-dimethoxyphenyl)-2-[4-[(4-nitrophenyl)carbamoylamino]phenyl]propanamide
CID 70106978
1-[4,5-dimethoxy-2-(propylamino)phenyl]ethanone
CID 67560086
[2-(benzylamino)-2-oxoethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate
CID 55311304
3-[(2-acetyl-4,5-dimethoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39350763
2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid
CID 103870871
N-(5-amino-2-methoxyphenyl)-2-methylpropanamide
CID 16772178

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-4,5-dimethoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-(2-acetyl-4,5-dimethoxyphenyl)-2-methylpropanamide (CID 70092647) is N-(2-acetyl-4,5-dimethoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-acetyl-4,5-dimethoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-(2-acetyl-4,5-dimethoxyphenyl)-2-methylpropanamide is COc1cc(NC(=O)C(C)C)c(C(C)=O)cc1OC.
What is the InChIKey of N-(2-acetyl-4,5-dimethoxyphenyl)-2-methylpropanamide?
The InChIKey is GROSGBBHWDCALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-8(2)14(17)15-11-7-13(19-5)12(18-4)6-10(11)9(3)16/h6-8H,1-5H3,(H,15,17).
What are the key properties of N-(2-acetyl-4,5-dimethoxyphenyl)-2-methylpropanamide?
N-(2-acetyl-4,5-dimethoxyphenyl)-2-methylpropanamide has a molecular weight of 265.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-4,5-dimethoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 70092647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).