[2-(ethylcarbamoyloxymethyl)-1-(4-methoxyphenyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methyl N-ethylcarbamate

C30H34N4O5 — CID 71575317

About [2-(ethylcarbamoyloxymethyl)-1-(4-methoxyphenyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methyl N-ethylcarbamate

[2-(ethylcarbamoyloxymethyl)-1-(4-methoxyphenyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methyl N-ethylcarbamate (PubChem CID 71575317) has the molecular formula C30H34N4O5 and a molecular weight of 530.63 g/mol. Its IUPAC name is [2-(ethylcarbamoyloxymethyl)-1-(4-methoxyphenyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methyl N-ethylcarbamate.

Molecular Properties

• Compound Name: [2-(ethylcarbamoyloxymethyl)-1-(4-methoxyphenyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methyl N-ethylcarbamate
• PubChem CID: 71575317
• Molecular Formula: C30H34N4O5
• Molecular Weight: 530.63 g/mol
• Exact Mass: 530.25
• IUPAC Name: [2-(ethylcarbamoyloxymethyl)-1-(4-methoxyphenyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methyl N-ethylcarbamate
• SMILES: CCNC(=O)OCc1c(COC(=O)NCC)c(-c2ccc(OC)cc2)n2c1Cc1c(n(C)c3ccccc13)C2
• InChI: InChI=1S/C30H34N4O5/c1-5-31-29(35)38-17-23-24(18-39-30(36)32-6-2)28(19-11-13-20(37-4)14-12-19)34-16-27-22(15-26(23)34)21-9-7-8-10-25(21)33(27)3/h7-14H,5-6,15-18H2,1-4H3,(H,31,35)(H,32,36)
• InChIKey: OSYCVMIULRGAIQ-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 95.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.63
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoyloxymethyl)-1-(4-methoxyphenyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methyl N-ethylcarbamate?

The IUPAC name of [2-(ethylcarbamoyloxymethyl)-1-(4-methoxyphenyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methyl N-ethylcarbamate (CID 71575317) is [2-(ethylcarbamoyloxymethyl)-1-(4-methoxyphenyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methyl N-ethylcarbamate.

What is the SMILES notation for [2-(ethylcarbamoyloxymethyl)-1-(4-methoxyphenyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methyl N-ethylcarbamate?

The canonical SMILES for [2-(ethylcarbamoyloxymethyl)-1-(4-methoxyphenyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methyl N-ethylcarbamate is CCNC(=O)OCc1c(COC(=O)NCC)c(-c2ccc(OC)cc2)n2c1Cc1c(n(C)c3ccccc13)C2.

What is the InChIKey of [2-(ethylcarbamoyloxymethyl)-1-(4-methoxyphenyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methyl N-ethylcarbamate?

The InChIKey is OSYCVMIULRGAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O5/c1-5-31-29(35)38-17-23-24(18-39-30(36)32-6-2)28(19-11-13-20(37-4)14-12-19)34-16-27-22(15-26(23)34)21-9-7-8-10-25(21)33(27)3/h7-14H,5-6,15-18H2,1-4H3,(H,31,35)(H,32,36).

What are the key properties of [2-(ethylcarbamoyloxymethyl)-1-(4-methoxyphenyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methyl N-ethylcarbamate?

[2-(ethylcarbamoyloxymethyl)-1-(4-methoxyphenyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methyl N-ethylcarbamate has a molecular weight of 530.63 g/mol, XLogP of 5.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(ethylcarbamoyloxymethyl)-1-(4-methoxyphenyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methyl N-ethylcarbamate is sourced from PubChem (CID 71575317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).