2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide

C26H24N2O3 — CID 20592745

IUPAC2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
SMILESCCOc1cccn2c(Cc3ccccc3-c3ccccc3)c(C)c(C(=O)C(N)=O)c12
InChIInChI=1S/C26H24N2O3/c1-3-31-22-14-9-15-28-21(17(2)23(24(22)28)25(29)26(27)30)16-19-12-7-8-13-20(19)18-10-5-4-6-11-18/h4-15H,3,16H2,1-2H3,(H2,27,30)
InChIKeyVBRMDWLUKKAIIE-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.57
Rot. Bonds7

About 2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide

2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide (PubChem CID 20592745) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
PubChem CID20592745
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
SMILESCCOc1cccn2c(Cc3ccccc3-c3ccccc3)c(C)c(C(=O)C(N)=O)c12
InChIInChI=1S/C26H24N2O3/c1-3-31-22-14-9-15-28-21(17(2)23(24(22)28)25(29)26(27)30)16-19-12-7-8-13-20(19)18-10-5-4-6-11-18/h4-15H,3,16H2,1-2H3,(H2,27,30)
InChIKeyVBRMDWLUKKAIIE-UHFFFAOYSA-N
XLogP4.57
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methyl-3-[(2-phenylphenyl)methyl]-8-(quinolin-2-ylmethoxy)indolizin-1-yl]-2-oxoacetamide
CID 18771269
2-oxopropyl 2-[2-ethyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetate
CID 18771215
2-[2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
CID 20592731
(1-methylcyclopentyl) 2-[2-[2-ethyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetyl]oxypropanoate
CID 18771217
ethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate
CID 10644615
2-[[carboxy(hydroxy)methyl]-[2-[8-(carboxymethoxy)-2-ethyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetyl]amino]-2-hydroxyacetic acid
CID 57001061
2-(3-benzyl-2-cyclopropyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[3-(cyclohexylmethyl)-2-methyl-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-ethyl-3-[(4-methylcyclohexyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-(3-ethyl-2-methyl-1-oxamoylindolizin-8-yl)oxyacetic acid;2-[2-ethyl-3-[(4-methylphenyl)methyl]-1-oxamoylindolizin-8-yl]oxyacetic acid;2-[2-methyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid
CID 90820491
2-[3-benzyl-8-(ethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide
CID 59074957
2-[2-ethyl-1-(oxaldehydoylamino)-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetic acid
CID 54321841
4-(3-benzyl-2-ethyl-1-oxamoylindolizin-8-yl)oxybutanoic acid
CID 20592756
2-[2-ethyl-7-methoxy-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
CID 10740408
ethyl 6-[2-ethyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-7-yl]oxyhexanoate
CID 54179721

Frequently Asked Questions

What is the IUPAC name of 2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide (CID 20592745) is 2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide is CCOc1cccn2c(Cc3ccccc3-c3ccccc3)c(C)c(C(=O)C(N)=O)c12.
What is the InChIKey of 2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide?
The InChIKey is VBRMDWLUKKAIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-3-31-22-14-9-15-28-21(17(2)23(24(22)28)25(29)26(27)30)16-19-12-7-8-13-20(19)18-10-5-4-6-11-18/h4-15H,3,16H2,1-2H3,(H2,27,30).
What are the key properties of 2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide?
2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide has a molecular weight of 412.49 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 20592745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).