methyl 2-(2-ethyl-1-oxamoyl-3-pentylindolizin-8-yl)oxyacetate

C20H26N2O5 — CID 10690818

IUPACmethyl 2-(2-ethyl-1-oxamoyl-3-pentylindolizin-8-yl)oxyacetate
SMILESCCCCCc1c(CC)c(C(=O)C(N)=O)c2c(OCC(=O)OC)cccn12
InChIInChI=1S/C20H26N2O5/c1-4-6-7-9-14-13(5-2)17(19(24)20(21)25)18-15(10-8-11-22(14)18)27-12-16(23)26-3/h8,10-11H,4-7,9,12H2,1-3H3,(H2,21,25)
InChIKeyUXURZSVBUIIAPD-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.45
Rot. Bonds10

About methyl 2-(2-ethyl-1-oxamoyl-3-pentylindolizin-8-yl)oxyacetate

methyl 2-(2-ethyl-1-oxamoyl-3-pentylindolizin-8-yl)oxyacetate (PubChem CID 10690818) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is methyl 2-(2-ethyl-1-oxamoyl-3-pentylindolizin-8-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(2-ethyl-1-oxamoyl-3-pentylindolizin-8-yl)oxyacetate
PubChem CID10690818
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Namemethyl 2-(2-ethyl-1-oxamoyl-3-pentylindolizin-8-yl)oxyacetate
SMILESCCCCCc1c(CC)c(C(=O)C(N)=O)c2c(OCC(=O)OC)cccn12
InChIInChI=1S/C20H26N2O5/c1-4-6-7-9-14-13(5-2)17(19(24)20(21)25)18-15(10-8-11-22(14)18)27-12-16(23)26-3/h8,10-11H,4-7,9,12H2,1-3H3,(H2,21,25)
InChIKeyUXURZSVBUIIAPD-UHFFFAOYSA-N
XLogP2.45
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-oxopropyl 2-[2-ethyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetate
CID 18771215
methyl 2-[3-(1-adamantylmethyl)-2-methyl-1-oxamoylindolizin-8-yl]oxyacetate
CID 10550987
2-[2-ethyl-1-oxamoyl-3-[(3-thiophen-2-ylthiophen-2-yl)methyl]indolizin-8-yl]oxyacetic acid
CID 11798508
2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide
CID 10576018
(1-methylcyclopentyl) 2-[2-[2-ethyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]indolizin-8-yl]oxyacetyl]oxypropanoate
CID 18771217
2-[3-[(3-chlorophenyl)methyl]-2-ethyl-8-(2H-tetrazol-5-ylmethoxy)indolizin-1-yl]-2-oxoacetamide
CID 10531659
2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
CID 20592745
2-[[carboxy(hydroxy)methyl]-[2-[8-(carboxymethoxy)-2-ethyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetyl]amino]-2-hydroxyacetic acid
CID 57001061
methyl 2-(1-benzyl-2-ethyl-3-oxamoylbenzo[g]indol-4-yl)oxyacetate
CID 10275279
2-(3-carbamoyl-2-pentylphenoxy)acetic acid
CID 174675490
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
methyl 2-(1-benzyl-2-ethylbenzo[g]indol-4-yl)oxyacetate;methyl 2-(1-benzyl-2-ethyl-3-oxamoylbenzo[g]indol-4-yl)oxyacetate
CID 159717028

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethyl-1-oxamoyl-3-pentylindolizin-8-yl)oxyacetate?
The IUPAC name of methyl 2-(2-ethyl-1-oxamoyl-3-pentylindolizin-8-yl)oxyacetate (CID 10690818) is methyl 2-(2-ethyl-1-oxamoyl-3-pentylindolizin-8-yl)oxyacetate.
What is the SMILES notation for methyl 2-(2-ethyl-1-oxamoyl-3-pentylindolizin-8-yl)oxyacetate?
The canonical SMILES for methyl 2-(2-ethyl-1-oxamoyl-3-pentylindolizin-8-yl)oxyacetate is CCCCCc1c(CC)c(C(=O)C(N)=O)c2c(OCC(=O)OC)cccn12.
What is the InChIKey of methyl 2-(2-ethyl-1-oxamoyl-3-pentylindolizin-8-yl)oxyacetate?
The InChIKey is UXURZSVBUIIAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-4-6-7-9-14-13(5-2)17(19(24)20(21)25)18-15(10-8-11-22(14)18)27-12-16(23)26-3/h8,10-11H,4-7,9,12H2,1-3H3,(H2,21,25).
What are the key properties of methyl 2-(2-ethyl-1-oxamoyl-3-pentylindolizin-8-yl)oxyacetate?
methyl 2-(2-ethyl-1-oxamoyl-3-pentylindolizin-8-yl)oxyacetate has a molecular weight of 374.44 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethyl-1-oxamoyl-3-pentylindolizin-8-yl)oxyacetate is sourced from PubChem (CID 10690818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).