ethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate

C26H25NO3 — CID 10644615

IUPACethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate
SMILESCCOC(=O)c1c(C)c(Cc2ccccc2)n2cccc(OCc3ccccc3)c12
InChIInChI=1S/C26H25NO3/c1-3-29-26(28)24-19(2)22(17-20-11-6-4-7-12-20)27-16-10-15-23(25(24)27)30-18-21-13-8-5-9-14-21/h4-16H,3,17-18H2,1-2H3
InChIKeySJMCWXVQLSMUHT-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.59
Rot. Bonds7

About ethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate

ethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate (PubChem CID 10644615) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is ethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate
PubChem CID10644615
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Nameethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate
SMILESCCOC(=O)c1c(C)c(Cc2ccccc2)n2cccc(OCc3ccccc3)c12
InChIInChI=1S/C26H25NO3/c1-3-29-26(28)24-19(2)22(17-20-11-6-4-7-12-20)27-16-10-15-23(25(24)27)30-18-21-13-8-5-9-14-21/h4-16H,3,17-18H2,1-2H3
InChIKeySJMCWXVQLSMUHT-UHFFFAOYSA-N
XLogP5.59
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 8-phenylmethoxy-2-sulfanylindolizine-1,3-dicarboxylate
CID 10739702
ethyl 2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizine-1-carboxylate
CID 10767818
ethyl 2-methyl-6-phenylmethoxybenzoate
CID 67461909
2-[2-ethyl-3-(naphthalen-2-ylmethyl)-8-phenylmethoxyindolizin-1-yl]-2-oxoacetamide
CID 10576018
2-[8-ethoxy-2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
CID 20592745
ethyl 6-acetyl-2-methyl-3-phenylmethoxybenzoate
CID 91864126
ethyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982589
4-(3-benzyl-2-ethyl-1-oxamoylindolizin-8-yl)oxybutanoic acid
CID 20592756
2-[3-benzyl-8-(ethylamino)-2-methylindolizin-1-yl]-2-oxoacetamide
CID 59074957
ethyl 2-(3-ethyl-4-phenylmethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 5204233
2-[3-(cyclopentylmethyl)-2-ethyl-8-phenylmethoxyindolizin-1-yl]-2-oxoacetyl chloride
CID 10669989
ethyl 2-(5-fluoro-2-phenylmethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3828987

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate?
The IUPAC name of ethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate (CID 10644615) is ethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate?
The canonical SMILES for ethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate is CCOC(=O)c1c(C)c(Cc2ccccc2)n2cccc(OCc3ccccc3)c12.
What is the InChIKey of ethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate?
The InChIKey is SJMCWXVQLSMUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO3/c1-3-29-26(28)24-19(2)22(17-20-11-6-4-7-12-20)27-16-10-15-23(25(24)27)30-18-21-13-8-5-9-14-21/h4-16H,3,17-18H2,1-2H3.
What are the key properties of ethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate?
ethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate has a molecular weight of 399.49 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzyl-2-methyl-8-phenylmethoxyindolizine-1-carboxylate is sourced from PubChem (CID 10644615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).