4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide

C24H29ClN2O5 — CID 26664489

IUPAC4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H29ClN2O5/c1-3-31-22-16-20(27-11-13-30-14-12-27)23(32-4-2)15-19(22)26-24(29)10-9-21(28)17-5-7-18(25)8-6-17/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,26,29)
InChIKeyABNNSHZTKLRYDG-UHFFFAOYSA-N
MW460.96 g/mol
LogP4.58
Rot. Bonds10

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

4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide (PubChem CID 26664489) has the molecular formula C24H29ClN2O5 and a molecular weight of 460.96 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide
PubChem CID26664489
Molecular FormulaC24H29ClN2O5
Molecular Weight460.96 g/mol
Exact Mass460.18
IUPAC Name4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H29ClN2O5/c1-3-31-22-16-20(27-11-13-30-14-12-27)23(32-4-2)15-19(22)26-24(29)10-9-21(28)17-5-7-18(25)8-6-17/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,26,29)
InChIKeyABNNSHZTKLRYDG-UHFFFAOYSA-N
XLogP4.58
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.96
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26663462
2-(4-chloro-2-methylphenoxy)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 4805862
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 18209443
3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide
CID 4853152
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
4-(4-ethoxyphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 51157452
[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 4-hydroxybenzoate
CID 16539860
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 26413933
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 7395843
[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 2-methylpropanoate
CID 7780747
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide
CID 26690586
2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 4877971

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide (CID 26664489) is 4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide?
The InChIKey is ABNNSHZTKLRYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O5/c1-3-31-22-16-20(27-11-13-30-14-12-27)23(32-4-2)15-19(22)26-24(29)10-9-21(28)17-5-7-18(25)8-6-17/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,26,29).
What are the key properties of 4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide?
4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide has a molecular weight of 460.96 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide is sourced from PubChem (CID 26664489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).