4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide

C13H17NO3 — CID 94262532

IUPAC4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide
SMILESCNC(=O)CCC(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C13H17NO3/c1-9-8-10(4-6-12(9)17-3)11(15)5-7-13(16)14-2/h4,6,8H,5,7H2,1-3H3,(H,14,16)
InChIKeyDTGSPKITVSYGSW-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.71
Rot. Bonds5

About 4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide

4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide (PubChem CID 94262532) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide
PubChem CID94262532
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide
SMILESCNC(=O)CCC(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C13H17NO3/c1-9-8-10(4-6-12(9)17-3)11(15)5-7-13(16)14-2/h4,6,8H,5,7H2,1-3H3,(H,14,16)
InChIKeyDTGSPKITVSYGSW-UHFFFAOYSA-N
XLogP1.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-methoxy-3-methylphenyl)-N-methyl-4-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

N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide
CID 94268012
4-(3-bromo-4-methoxyphenyl)-N-methyl-4-oxobutanamide
CID 94311085
4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one
CID 103035398
11-bromo-1-(4-methoxy-3-methylphenyl)undecan-1-one
CID 102469746
2-bromo-1-(4-methoxy-3-methylphenyl)ethanone
CID 13440066
N-(1H-indol-3-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide
CID 46963319
butyl 4-(4-methoxy-3-methylphenyl)-4-oxobutanoate
CID 62131722
2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone
CID 82077457
N-(3-acetamido-4-methoxyphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 35347912
1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone
CID 82101767
N-[2-[[2-(4-methoxy-3-methylphenyl)-2-oxoethyl]amino]ethyl]acetamide
CID 82101774
1-(4-methoxy-3-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103206599

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide?
The IUPAC name of 4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide (CID 94262532) is 4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide.
What is the SMILES notation for 4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide?
The canonical SMILES for 4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide is CNC(=O)CCC(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of 4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide?
The InChIKey is DTGSPKITVSYGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-8-10(4-6-12(9)17-3)11(15)5-7-13(16)14-2/h4,6,8H,5,7H2,1-3H3,(H,14,16).
What are the key properties of 4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide?
4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide has a molecular weight of 235.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide is sourced from PubChem (CID 94262532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).