2-(2-methyl-1-phenylindolizin-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide

C27H25N3O3 — CID 24998225

IUPAC2-(2-methyl-1-phenylindolizin-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
SMILESCc1c(-c2ccccc2)c2ccccn2c1C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C27H25N3O3/c1-19-24(20-7-3-2-4-8-20)23-9-5-6-14-30(23)25(19)26(31)27(32)28-21-10-12-22(13-11-21)29-15-17-33-18-16-29/h2-14H,15-18H2,1H3,(H,28,32)
InChIKeyUJLGEJZXAURDIA-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.57
Rot. Bonds5

About 2-(2-methyl-1-phenylindolizin-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide

2-(2-methyl-1-phenylindolizin-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide (PubChem CID 24998225) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-(2-methyl-1-phenylindolizin-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-methyl-1-phenylindolizin-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
PubChem CID24998225
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name2-(2-methyl-1-phenylindolizin-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
SMILESCc1c(-c2ccccc2)c2ccccn2c1C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C27H25N3O3/c1-19-24(20-7-3-2-4-8-20)23-9-5-6-14-30(23)25(19)26(31)27(32)28-21-10-12-22(13-11-21)29-15-17-33-18-16-29/h2-14H,15-18H2,1H3,(H,28,32)
InChIKeyUJLGEJZXAURDIA-UHFFFAOYSA-N
XLogP4.57
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
CID 39041089
N-[4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 24997918
(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574
(Z)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-(4-phenylphenyl)prop-2-enamide
CID 2121496
2-hydrazinyl-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
CID 59464167
(E)-2-cyano-N-(4-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 2238856
N-(4-morpholin-4-ylphenyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 2447508
N-[4-[2-[(4,6-dimethyl-2-pyridinyl)methylamino]ethylamino]phenyl]-2-(1-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide
CID 67106443
2-(azetidin-3-ylidene)-N-(4-morpholin-4-ylphenyl)propanamide
CID 116677354
3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide
CID 731852
2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 16957852
1-butyl-3-methyl-N-(4-morpholin-4-ylphenyl)indole-2-carboxamide
CID 110501398

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-phenylindolizin-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide?
The IUPAC name of 2-(2-methyl-1-phenylindolizin-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide (CID 24998225) is 2-(2-methyl-1-phenylindolizin-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(2-methyl-1-phenylindolizin-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(2-methyl-1-phenylindolizin-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide is Cc1c(-c2ccccc2)c2ccccn2c1C(=O)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(2-methyl-1-phenylindolizin-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide?
The InChIKey is UJLGEJZXAURDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-19-24(20-7-3-2-4-8-20)23-9-5-6-14-30(23)25(19)26(31)27(32)28-21-10-12-22(13-11-21)29-15-17-33-18-16-29/h2-14H,15-18H2,1H3,(H,28,32).
What are the key properties of 2-(2-methyl-1-phenylindolizin-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide?
2-(2-methyl-1-phenylindolizin-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide has a molecular weight of 439.52 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-phenylindolizin-3-yl)-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide is sourced from PubChem (CID 24998225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).