4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide

C13H17NO3 — CID 78781257

IUPAC4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NC)cc1
InChIInChI=1S/C13H17NO3/c1-3-17-11-6-4-10(5-7-11)12(15)8-9-13(16)14-2/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyGMGBPRMUBNYDCC-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.79
Rot. Bonds6

About 4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide

4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide (PubChem CID 78781257) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
PubChem CID78781257
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NC)cc1
InChIInChI=1S/C13H17NO3/c1-3-17-11-6-4-10(5-7-11)12(15)8-9-13(16)14-2/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyGMGBPRMUBNYDCC-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-ethoxyphenyl)-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

1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
CID 3072558
4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
CID 55846229
4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide
CID 9224439
1-(4-ethoxyphenyl)-4-(methylamino)butan-1-one
CID 116555513
4-(4-ethoxyphenyl)-N-[2-(methylamino)propyl]-4-oxobutanamide
CID 120828081
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 34752830
4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide
CID 78774846
4-(4-ethoxyphenyl)-4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 8733342
4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide
CID 880605
1-(4-ethoxyphenyl)-3-(ethylamino)propan-1-one
CID 94258495
2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55835897

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide (CID 78781257) is 4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)NC)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide?
The InChIKey is GMGBPRMUBNYDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-17-11-6-4-10(5-7-11)12(15)8-9-13(16)14-2/h4-7H,3,8-9H2,1-2H3,(H,14,16).
What are the key properties of 4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide?
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide has a molecular weight of 235.28 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide is sourced from PubChem (CID 78781257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).