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

C22H26N2O3 — CID 51157407

IUPAC4-(4-ethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-2-17-7-9-18(10-8-17)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)
InChIKeyKJARKWFQPOOXSV-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.69
Rot. Bonds7

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

4-(4-ethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide (PubChem CID 51157407) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
PubChem CID51157407
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-(4-ethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C22H26N2O3/c1-2-17-7-9-18(10-8-17)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)
InChIKeyKJARKWFQPOOXSV-UHFFFAOYSA-N
XLogP3.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 51157452
4-ethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677776
4-(2-chlorophenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110425325
4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 17459754
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
4-(4-ethoxyphenyl)-4-oxo-N-(2-pyrrolidin-1-ylphenyl)butanamide
CID 46526087
N-(2-ethylphenyl)-3-(2-morpholin-4-ylanilino)propanamide
CID 109036145
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 108807350
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)pentanamide
CID 110297867
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108951131
6-amino-N-(2-morpholin-4-ylphenyl)hexanamide
CID 43708115

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-ethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide (CID 51157407) is 4-(4-ethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide is CCc1ccc(C(=O)CCC(=O)Nc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide?
The InChIKey is KJARKWFQPOOXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-17-7-9-18(10-8-17)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-ethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide?
4-(4-ethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide has a molecular weight of 366.46 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide is sourced from PubChem (CID 51157407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).