4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide

C22H26N2O3 — CID 17459754

IUPAC4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C22H26N2O3/c1-16-7-8-17(2)18(15-16)21(25)9-10-22(26)23-19-5-3-4-6-20(19)24-11-13-27-14-12-24/h3-8,15H,9-14H2,1-2H3,(H,23,26)
InChIKeyRWKGSCMAQKSOOJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.74
Rot. Bonds6

About 4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide

4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide (PubChem CID 17459754) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
PubChem CID17459754
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C22H26N2O3/c1-16-7-8-17(2)18(15-16)21(25)9-10-22(26)23-19-5-3-4-6-20(19)24-11-13-27-14-12-24/h3-8,15H,9-14H2,1-2H3,(H,23,26)
InChIKeyRWKGSCMAQKSOOJ-UHFFFAOYSA-N
XLogP3.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 41270500
4-(2-chlorophenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110425325
N-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide
CID 109037056
1-(2,4-dimethylphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108991302
4-(4-ethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 51157407
N-(3,4-dimethylphenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108953647
4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide
CID 7922267
2-(N-acetyl-2,4,6-trimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 113170062
3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 9431656
2-[(2-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996603
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996829

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide?
The IUPAC name of 4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide (CID 17459754) is 4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide is Cc1ccc(C)c(C(=O)CCC(=O)Nc2ccccc2N2CCOCC2)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide?
The InChIKey is RWKGSCMAQKSOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-7-8-17(2)18(15-16)21(25)9-10-22(26)23-19-5-3-4-6-20(19)24-11-13-27-14-12-24/h3-8,15H,9-14H2,1-2H3,(H,23,26).
What are the key properties of 4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide?
4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide has a molecular weight of 366.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide is sourced from PubChem (CID 17459754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).