ethyl 3-benzyl-8-methoxy-2-methylindolizine-1-carboxylate

C20H21NO3 — CID 54556814

IUPACethyl 3-benzyl-8-methoxy-2-methylindolizine-1-carboxylate
SMILESCCOC(=O)c1c(C)c(Cc2ccccc2)n2cccc(OC)c12
InChIInChI=1S/C20H21NO3/c1-4-24-20(22)18-14(2)16(13-15-9-6-5-7-10-15)21-12-8-11-17(23-3)19(18)21/h5-12H,4,13H2,1-3H3
InChIKeyZNSZEFWZDWQCDI-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.02
Rot. Bonds5

About ethyl 3-benzyl-8-methoxy-2-methylindolizine-1-carboxylate

ethyl 3-benzyl-8-methoxy-2-methylindolizine-1-carboxylate (PubChem CID 54556814) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethyl 3-benzyl-8-methoxy-2-methylindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzyl-8-methoxy-2-methylindolizine-1-carboxylate
PubChem CID54556814
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Nameethyl 3-benzyl-8-methoxy-2-methylindolizine-1-carboxylate
SMILESCCOC(=O)c1c(C)c(Cc2ccccc2)n2cccc(OC)c12
InChIInChI=1S/C20H21NO3/c1-4-24-20(22)18-14(2)16(13-15-9-6-5-7-10-15)21-12-8-11-17(23-3)19(18)21/h5-12H,4,13H2,1-3H3
InChIKeyZNSZEFWZDWQCDI-UHFFFAOYSA-N
XLogP4.02
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Pentyl-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71604304
Jwh 250
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2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
5-fluoro-PB-22
CID 72710774
6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11508949
7-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11595816
Indoxam
CID 9911907
2-[2-Ethyl-1-oxamoyl-3-[[2-(phenylmethyl)phenyl]methyl]indolizin-8-yl]oxyacetic acid
CID 10389981
4-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11595817
4-(2-{6-methoxy-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl}ethyl)morpholine
CID 11689539
4-(2-{5-methoxy-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indol-1-yl}ethyl)morpholine
CID 24768501
1-[2-(2,5-dimethylphenoxy)ethyl]indole-3-carboxylic Acid
CID 7345532

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzyl-8-methoxy-2-methylindolizine-1-carboxylate?
The IUPAC name of ethyl 3-benzyl-8-methoxy-2-methylindolizine-1-carboxylate (CID 54556814) is ethyl 3-benzyl-8-methoxy-2-methylindolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-benzyl-8-methoxy-2-methylindolizine-1-carboxylate?
The canonical SMILES for ethyl 3-benzyl-8-methoxy-2-methylindolizine-1-carboxylate is CCOC(=O)c1c(C)c(Cc2ccccc2)n2cccc(OC)c12.
What is the InChIKey of ethyl 3-benzyl-8-methoxy-2-methylindolizine-1-carboxylate?
The InChIKey is ZNSZEFWZDWQCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-4-24-20(22)18-14(2)16(13-15-9-6-5-7-10-15)21-12-8-11-17(23-3)19(18)21/h5-12H,4,13H2,1-3H3.
What are the key properties of ethyl 3-benzyl-8-methoxy-2-methylindolizine-1-carboxylate?
ethyl 3-benzyl-8-methoxy-2-methylindolizine-1-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzyl-8-methoxy-2-methylindolizine-1-carboxylate is sourced from PubChem (CID 54556814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).