4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide

C22H26N2O4 — CID 51157452

IUPAC4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C22H26N2O4/c1-2-28-18-9-7-17(8-10-18)21(25)11-12-22(26)23-19-5-3-4-6-20(19)24-13-15-27-16-14-24/h3-10H,2,11-16H2,1H3,(H,23,26)
InChIKeyKNPNARAENUMVBQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.52
Rot. Bonds8

About 4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide

4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide (PubChem CID 51157452) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
PubChem CID51157452
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C22H26N2O4/c1-2-28-18-9-7-17(8-10-18)21(25)11-12-22(26)23-19-5-3-4-6-20(19)24-13-15-27-16-14-24/h3-10H,2,11-16H2,1H3,(H,23,26)
InChIKeyKNPNARAENUMVBQ-UHFFFAOYSA-N
XLogP3.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide
CID 46526087
4-(4-ethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 51157407
4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide
CID 7922267
4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide
CID 880605
4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide
CID 26664489
4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
CID 880449
4-(2-chlorophenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110425325
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 1078563
2-(4-butan-2-ylphenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2954143
2-(4-propanoylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 2714751
4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 17459754
2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 34752830

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide (CID 51157452) is 4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)Nc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide?
The InChIKey is KNPNARAENUMVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-2-28-18-9-7-17(8-10-18)21(25)11-12-22(26)23-19-5-3-4-6-20(19)24-13-15-27-16-14-24/h3-10H,2,11-16H2,1H3,(H,23,26).
What are the key properties of 4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide?
4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide has a molecular weight of 382.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide is sourced from PubChem (CID 51157452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).