N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide

C13H17NO4 — CID 115175414

IUPACN-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide
SMILESCOc1cc(NC(=O)C(C)=O)c(OC)c(C)c1C
InChIInChI=1S/C13H17NO4/c1-7-8(2)12(18-5)10(6-11(7)17-4)14-13(16)9(3)15/h6H,1-5H3,(H,14,16)
InChIKeyNKQJSAVWVJGPMF-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.85
Rot. Bonds4

About N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide

N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide (PubChem CID 115175414) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide
PubChem CID115175414
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide
SMILESCOc1cc(NC(=O)C(C)=O)c(OC)c(C)c1C
InChIInChI=1S/C13H17NO4/c1-7-8(2)12(18-5)10(6-11(7)17-4)14-13(16)9(3)15/h6H,1-5H3,(H,14,16)
InChIKeyNKQJSAVWVJGPMF-UHFFFAOYSA-N
XLogP1.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropanamide
CID 115153528
2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline
CID 115258305
N'-(2-methoxy-3,5-dimethylphenyl)oxamide
CID 115191556
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
CID 15812003
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
N-(3,4-difluoro-5-methoxy-2-methylphenyl)acetamide;ethane
CID 178095697
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-oxopropanamide
CID 115175643
2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257712
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)prop-2-enoate
CID 116843292
N-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride
CID 115194384
N-(5-bromo-2-methoxy-3,4-dimethylphenyl)-2,2,2-trifluoroacetamide
CID 23258549

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide?
The IUPAC name of N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide (CID 115175414) is N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide.
What is the SMILES notation for N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide?
The canonical SMILES for N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide is COc1cc(NC(=O)C(C)=O)c(OC)c(C)c1C.
What is the InChIKey of N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide?
The InChIKey is NKQJSAVWVJGPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-7-8(2)12(18-5)10(6-11(7)17-4)14-13(16)9(3)15/h6H,1-5H3,(H,14,16).
What are the key properties of N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide?
N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide has a molecular weight of 251.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide is sourced from PubChem (CID 115175414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).