N-(2,4-dimethoxy-3-methylphenyl)-N-methyl-3-oxobutanamide

C14H19NO4 — CID 115176301

IUPACN-(2,4-dimethoxy-3-methylphenyl)-N-methyl-3-oxobutanamide
SMILESCOc1ccc(N(C)C(=O)CC(C)=O)c(OC)c1C
InChIInChI=1S/C14H19NO4/c1-9(16)8-13(17)15(3)11-6-7-12(18-4)10(2)14(11)19-5/h6-7H,8H2,1-5H3
InChIKeyNKBHHYMPOREZDC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.95
Rot. Bonds5

About N-(2,4-dimethoxy-3-methylphenyl)-N-methyl-3-oxobutanamide

N-(2,4-dimethoxy-3-methylphenyl)-N-methyl-3-oxobutanamide (PubChem CID 115176301) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(2,4-dimethoxy-3-methylphenyl)-N-methyl-3-oxobutanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxy-3-methylphenyl)-N-methyl-3-oxobutanamide
PubChem CID115176301
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-(2,4-dimethoxy-3-methylphenyl)-N-methyl-3-oxobutanamide
SMILESCOc1ccc(N(C)C(=O)CC(C)=O)c(OC)c1C
InChIInChI=1S/C14H19NO4/c1-9(16)8-13(17)15(3)11-6-7-12(18-4)10(2)14(11)19-5/h6-7H,8H2,1-5H3
InChIKeyNKBHHYMPOREZDC-UHFFFAOYSA-N
XLogP1.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(2,4-dimethoxy-3-methylphenyl)-N-methyl-3-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide
CID 82494478
N-(2-methoxy-3,4,6-trimethylphenyl)-N-methyl-3-oxobutanamide
CID 115176347
2-(2,4-dimethoxy-N,3-dimethylanilino)ethanol
CID 115216133
methyl 2-(4-methoxy-N,2,3-trimethylanilino)acetate
CID 115232790
(2,4-dimethoxy-3-methylphenyl) acetate
CID 10899866
1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one
CID 115234740
2-hydroxy-N-(4-methoxy-2,3-dimethylphenyl)-N-methylpropanamide
CID 115140531
4-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]butan-2-one
CID 115235817
2-(2,4-dimethoxy-3-methylphenyl)-N'-methylacetohydrazide
CID 116846220
2-N-(2,4-dimethoxy-3-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039909
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194800
methyl 3-(2,5-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174206

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxy-3-methylphenyl)-N-methyl-3-oxobutanamide?
The IUPAC name of N-(2,4-dimethoxy-3-methylphenyl)-N-methyl-3-oxobutanamide (CID 115176301) is N-(2,4-dimethoxy-3-methylphenyl)-N-methyl-3-oxobutanamide.
What is the SMILES notation for N-(2,4-dimethoxy-3-methylphenyl)-N-methyl-3-oxobutanamide?
The canonical SMILES for N-(2,4-dimethoxy-3-methylphenyl)-N-methyl-3-oxobutanamide is COc1ccc(N(C)C(=O)CC(C)=O)c(OC)c1C.
What is the InChIKey of N-(2,4-dimethoxy-3-methylphenyl)-N-methyl-3-oxobutanamide?
The InChIKey is NKBHHYMPOREZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(16)8-13(17)15(3)11-6-7-12(18-4)10(2)14(11)19-5/h6-7H,8H2,1-5H3.
What are the key properties of N-(2,4-dimethoxy-3-methylphenyl)-N-methyl-3-oxobutanamide?
N-(2,4-dimethoxy-3-methylphenyl)-N-methyl-3-oxobutanamide has a molecular weight of 265.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxy-3-methylphenyl)-N-methyl-3-oxobutanamide is sourced from PubChem (CID 115176301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).