2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide

C20H22N2O4 — CID 34752830

IUPAC2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccccc2C(=O)NC)cc1
InChIInChI=1S/C20H22N2O4/c1-3-26-15-10-8-14(9-11-15)18(23)12-13-19(24)22-17-7-5-4-6-16(17)20(25)21-2/h4-11H,3,12-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyICIIAKYGCXIPAO-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.05
Rot. Bonds8

About 2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide

2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide (PubChem CID 34752830) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
PubChem CID34752830
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccccc2C(=O)NC)cc1
InChIInChI=1S/C20H22N2O4/c1-3-26-15-10-8-14(9-11-15)18(23)12-13-19(24)22-17-7-5-4-6-16(17)20(25)21-2/h4-11H,3,12-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyICIIAKYGCXIPAO-UHFFFAOYSA-N
XLogP3.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]benzamide
CID 34279951
4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide
CID 880605
4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
CID 880449
4-(4-ethoxyphenyl)-N-methyl-4-oxobutanamide
CID 78781257
2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55835897
N-(3-acetamido-2-methylphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 134019287
2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide
CID 110615676
4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide
CID 46526087
N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 55981754
4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide
CID 78774846
4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 51157452
4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
CID 55846229

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide (CID 34752830) is 2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide is CCOc1ccc(C(=O)CCC(=O)Nc2ccccc2C(=O)NC)cc1.
What is the InChIKey of 2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide?
The InChIKey is ICIIAKYGCXIPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-26-15-10-8-14(9-11-15)18(23)12-13-19(24)22-17-7-5-4-6-16(17)20(25)21-2/h4-11H,3,12-13H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide?
2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide is sourced from PubChem (CID 34752830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).