4-(4,5-diethoxy-2-methylphenyl)-4-oxo-N-phenylbutanamide

C21H25NO4 — CID 46210565

IUPAC4-(4,5-diethoxy-2-methylphenyl)-4-oxo-N-phenylbutanamide
SMILESCCOc1cc(C)c(C(=O)CCC(=O)Nc2ccccc2)cc1OCC
InChIInChI=1S/C21H25NO4/c1-4-25-19-13-15(3)17(14-20(19)26-5-2)18(23)11-12-21(24)22-16-9-7-6-8-10-16/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,22,24)
InChIKeyGSEHDTNGESXOTJ-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.39
Rot. Bonds9

About 4-(4,5-diethoxy-2-methylphenyl)-4-oxo-N-phenylbutanamide

4-(4,5-diethoxy-2-methylphenyl)-4-oxo-N-phenylbutanamide (PubChem CID 46210565) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 4-(4,5-diethoxy-2-methylphenyl)-4-oxo-N-phenylbutanamide.

Molecular Properties

Compound Name4-(4,5-diethoxy-2-methylphenyl)-4-oxo-N-phenylbutanamide
PubChem CID46210565
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name4-(4,5-diethoxy-2-methylphenyl)-4-oxo-N-phenylbutanamide
SMILESCCOc1cc(C)c(C(=O)CCC(=O)Nc2ccccc2)cc1OCC
InChIInChI=1S/C21H25NO4/c1-4-25-19-13-15(3)17(14-20(19)26-5-2)18(23)11-12-21(24)22-16-9-7-6-8-10-16/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,22,24)
InChIKeyGSEHDTNGESXOTJ-UHFFFAOYSA-N
XLogP4.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4,5-diethoxy-2-methylphenyl)-4-oxo-N-phenylbutanamide 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

4-[2-(2-ethoxybenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4926492
4-[4-(2-ethoxyphenoxy)butanoylamino]-2-methylbenzoic acid
CID 119240265
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
5-[4-(2-ethoxyphenoxy)butanoylamino]-2-methylbenzoic acid
CID 119255160
ethyl 3-anilino-3-oxopropanoate
CID 3016808
5-(3,4-diethoxyanilino)-5-oxopentanoic acid
CID 43396454
4-oxo-N,4-diphenylbutanamide
CID 825307
4-(2,5-dimethylthiophen-3-yl)-N-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide
CID 9102600
4-oxo-N-phenyl-4-(4-propylphenyl)butanamide
CID 9341017
4-(3,4-diethoxyphenyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-oxobutanamide
CID 154872547
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
CID 110356036
2-(2-ethoxy-4-formylphenoxy)-N-phenylacetamide
CID 844203

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-diethoxy-2-methylphenyl)-4-oxo-N-phenylbutanamide?
The IUPAC name of 4-(4,5-diethoxy-2-methylphenyl)-4-oxo-N-phenylbutanamide (CID 46210565) is 4-(4,5-diethoxy-2-methylphenyl)-4-oxo-N-phenylbutanamide.
What is the SMILES notation for 4-(4,5-diethoxy-2-methylphenyl)-4-oxo-N-phenylbutanamide?
The canonical SMILES for 4-(4,5-diethoxy-2-methylphenyl)-4-oxo-N-phenylbutanamide is CCOc1cc(C)c(C(=O)CCC(=O)Nc2ccccc2)cc1OCC.
What is the InChIKey of 4-(4,5-diethoxy-2-methylphenyl)-4-oxo-N-phenylbutanamide?
The InChIKey is GSEHDTNGESXOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-4-25-19-13-15(3)17(14-20(19)26-5-2)18(23)11-12-21(24)22-16-9-7-6-8-10-16/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,22,24).
What are the key properties of 4-(4,5-diethoxy-2-methylphenyl)-4-oxo-N-phenylbutanamide?
4-(4,5-diethoxy-2-methylphenyl)-4-oxo-N-phenylbutanamide has a molecular weight of 355.43 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-diethoxy-2-methylphenyl)-4-oxo-N-phenylbutanamide is sourced from PubChem (CID 46210565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).