N-(3-morpholin-4-ylpropyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide

C23H25N3O3 — CID 8707548

IUPACN-(3-morpholin-4-ylpropyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
SMILESO=C(NCCCN1CCOCC1)C(=O)c1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C23H25N3O3/c27-22(23(28)24-10-6-11-25-13-15-29-16-14-25)21-20(18-7-2-1-3-8-18)17-19-9-4-5-12-26(19)21/h1-5,7-9,12,17H,6,10-11,13-16H2,(H,24,28)
InChIKeyAGTNXIMWQPTWTC-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.63
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide

N-(3-morpholin-4-ylpropyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide (PubChem CID 8707548) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
PubChem CID8707548
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
SMILESO=C(NCCCN1CCOCC1)C(=O)c1c(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C23H25N3O3/c27-22(23(28)24-10-6-11-25-13-15-29-16-14-25)21-20(18-7-2-1-3-8-18)17-19-9-4-5-12-26(19)21/h1-5,7-9,12,17H,6,10-11,13-16H2,(H,24,28)
InChIKeyAGTNXIMWQPTWTC-UHFFFAOYSA-N
XLogP2.63
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-[3-[2-(4-phenylphenyl)indolizin-3-yl]propyl]morpholine
CID 170871049
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
N-(2-morpholin-4-ylethyl)-2-oxo-2-phenylacetamide
CID 94274550
N-(3-morpholin-4-ylpropyl)-2-phenylpent-2-enamide
CID 140983170
N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291374
N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide
CID 6734075
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291523
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108889443
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
CID 14763453
N-(3-morpholin-4-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2298706
N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide
CID 55628607

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide (CID 8707548) is N-(3-morpholin-4-ylpropyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide is O=C(NCCCN1CCOCC1)C(=O)c1c(-c2ccccc2)cc2ccccn12.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?
The InChIKey is AGTNXIMWQPTWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-22(23(28)24-10-6-11-25-13-15-29-16-14-25)21-20(18-7-2-1-3-8-18)17-19-9-4-5-12-26(19)21/h1-5,7-9,12,17H,6,10-11,13-16H2,(H,24,28).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide?
N-(3-morpholin-4-ylpropyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide has a molecular weight of 391.47 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide is sourced from PubChem (CID 8707548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).