[1-(2-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate

C24H25N3O5 — CID 42600610

IUPAC[1-(2-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1c(COC(=O)NC)c(-c2ccccc2OC)n2c1Cc1ccccc1-2
InChIInChI=1S/C24H25N3O5/c1-25-23(28)31-13-17-18(14-32-24(29)26-2)22(16-9-5-7-11-21(16)30-3)27-19-10-6-4-8-15(19)12-20(17)27/h4-11H,12-14H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyBJNPPNJRXDRQBH-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.77
Rot. Bonds6

About [1-(2-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate

[1-(2-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate (PubChem CID 42600610) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate
PubChem CID42600610
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name[1-(2-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1c(COC(=O)NC)c(-c2ccccc2OC)n2c1Cc1ccccc1-2
InChIInChI=1S/C24H25N3O5/c1-25-23(28)31-13-17-18(14-32-24(29)26-2)22(16-9-5-7-11-21(16)30-3)27-19-10-6-4-8-15(19)12-20(17)27/h4-11H,12-14H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyBJNPPNJRXDRQBH-UHFFFAOYSA-N
XLogP3.77
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate?
The IUPAC name of [1-(2-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate (CID 42600610) is [1-(2-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate.
What is the SMILES notation for [1-(2-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate?
The canonical SMILES for [1-(2-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate is CNC(=O)OCc1c(COC(=O)NC)c(-c2ccccc2OC)n2c1Cc1ccccc1-2.
What is the InChIKey of [1-(2-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate?
The InChIKey is BJNPPNJRXDRQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-25-23(28)31-13-17-18(14-32-24(29)26-2)22(16-9-5-7-11-21(16)30-3)27-19-10-6-4-8-15(19)12-20(17)27/h4-11H,12-14H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of [1-(2-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate?
[1-(2-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate has a molecular weight of 435.48 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)-2-(methylcarbamoyloxymethyl)-4H-pyrrolo[1,2-a]indol-3-yl]methyl N-methylcarbamate is sourced from PubChem (CID 42600610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).