4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide

C22H23N3O3 — CID 84553216

IUPAC4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)n1ccc2ccccc21)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H23N3O3/c26-21(9-10-22(27)25-12-11-17-3-1-2-4-20(17)25)23-18-5-7-19(8-6-18)24-13-15-28-16-14-24/h1-8,11-12H,9-10,13-16H2,(H,23,26)
InChIKeyVNYSPSSXZZKGHL-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.54
Rot. Bonds5

About 4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide

4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide (PubChem CID 84553216) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide
PubChem CID84553216
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)n1ccc2ccccc21)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H23N3O3/c26-21(9-10-22(27)25-12-11-17-3-1-2-4-20(17)25)23-18-5-7-19(8-6-18)24-13-15-28-16-14-24/h1-8,11-12H,9-10,13-16H2,(H,23,26)
InChIKeyVNYSPSSXZZKGHL-UHFFFAOYSA-N
XLogP3.54
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
N-(3,4-dichlorophenyl)-4-indol-1-yl-4-oxobutanamide
CID 84552815
3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 42392939
N-(4-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 26269482
methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
CID 51985182
4-indol-1-yl-N-methyl-4-oxobutanamide
CID 84556822
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592839
4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047
3-(4-hydroxypiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 46683230
2-isoquinolin-1-ylsulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 3789968

Frequently Asked Questions

What is the IUPAC name of 4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide?
The IUPAC name of 4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide (CID 84553216) is 4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide is O=C(CCC(=O)n1ccc2ccccc21)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide?
The InChIKey is VNYSPSSXZZKGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-21(9-10-22(27)25-12-11-17-3-1-2-4-20(17)25)23-18-5-7-19(8-6-18)24-13-15-28-16-14-24/h1-8,11-12H,9-10,13-16H2,(H,23,26).
What are the key properties of 4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide?
4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide has a molecular weight of 377.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-yl-N-(4-morpholin-4-ylphenyl)-4-oxobutanamide is sourced from PubChem (CID 84553216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).