ethyl 2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizine-1-carboxylate

C33H29NO4 — CID 10767818

IUPACethyl 2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizine-1-carboxylate
SMILESCCOC(=O)c1c(CC)c(C(=O)c2ccccc2-c2ccccc2)n2cccc(OCc3ccccc3)c12
InChIInChI=1S/C33H29NO4/c1-3-25-29(33(36)37-4-2)31-28(38-22-23-14-7-5-8-15-23)20-13-21-34(31)30(25)32(35)27-19-12-11-18-26(27)24-16-9-6-10-17-24/h5-21H,3-4,22H2,1-2H3
InChIKeyRHSMDAPLILPBIW-UHFFFAOYSA-N
MW503.60 g/mol
LogP7.16
Rot. Bonds9

About ethyl 2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizine-1-carboxylate

ethyl 2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizine-1-carboxylate (PubChem CID 10767818) has the molecular formula C33H29NO4 and a molecular weight of 503.60 g/mol. Its IUPAC name is ethyl 2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizine-1-carboxylate
PubChem CID10767818
Molecular FormulaC33H29NO4
Molecular Weight503.60 g/mol
Exact Mass503.21
IUPAC Nameethyl 2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizine-1-carboxylate
SMILESCCOC(=O)c1c(CC)c(C(=O)c2ccccc2-c2ccccc2)n2cccc(OCc3ccccc3)c12
InChIInChI=1S/C33H29NO4/c1-3-25-29(33(36)37-4-2)31-28(38-22-23-14-7-5-8-15-23)20-13-21-34(31)30(25)32(35)27-19-12-11-18-26(27)24-16-9-6-10-17-24/h5-21H,3-4,22H2,1-2H3
InChIKeyRHSMDAPLILPBIW-UHFFFAOYSA-N
XLogP7.16
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.60
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizine-1-carboxylate?
The IUPAC name of ethyl 2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizine-1-carboxylate (CID 10767818) is ethyl 2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizine-1-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizine-1-carboxylate?
The canonical SMILES for ethyl 2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizine-1-carboxylate is CCOC(=O)c1c(CC)c(C(=O)c2ccccc2-c2ccccc2)n2cccc(OCc3ccccc3)c12.
What is the InChIKey of ethyl 2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizine-1-carboxylate?
The InChIKey is RHSMDAPLILPBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29NO4/c1-3-25-29(33(36)37-4-2)31-28(38-22-23-14-7-5-8-15-23)20-13-21-34(31)30(25)32(35)27-19-12-11-18-26(27)24-16-9-6-10-17-24/h5-21H,3-4,22H2,1-2H3.
What are the key properties of ethyl 2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizine-1-carboxylate?
ethyl 2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizine-1-carboxylate has a molecular weight of 503.60 g/mol, XLogP of 7.16, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-3-(2-phenylbenzoyl)-8-phenylmethoxyindolizine-1-carboxylate is sourced from PubChem (CID 10767818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).