4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide

C19H21NO3 — CID 880605

IUPAC4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C19H21NO3/c1-3-23-16-10-8-15(9-11-16)18(21)12-13-19(22)20-17-7-5-4-6-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyBEFIVDIOJRBUAZ-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.00
Rot. Bonds7

About 4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide

4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide (PubChem CID 880605) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide
PubChem CID880605
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C19H21NO3/c1-3-23-16-10-8-15(9-11-16)18(21)12-13-19(22)20-17-7-5-4-6-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyBEFIVDIOJRBUAZ-UHFFFAOYSA-N
XLogP4.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
CID 880449
N-(3-acetamido-2-methylphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 134019287
4-(4-ethoxyphenoxy)-N-(2-methylphenyl)butanamide
CID 7946732
2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 34752830
N-(2-methylphenyl)-4-oxo-4-(4-phenylphenyl)butanamide
CID 5003132
4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide
CID 46526087
N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279951
4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 51157452
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(4-ethoxyphenyl)-4-oxobutanehydrazide
CID 4816885
4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
CID 55846229
N-(2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9413945

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide (CID 880605) is 4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)Nc2ccccc2C)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide?
The InChIKey is BEFIVDIOJRBUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-23-16-10-8-15(9-11-16)18(21)12-13-19(22)20-17-7-5-4-6-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of 4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide?
4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide has a molecular weight of 311.38 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 880605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).