[2-[2-(methoxymethyl)phenyl]-3-methyl-1H-indol-5-yl]methyl carbamate

C19H20N2O3 — CID 175322460

IUPAC[2-[2-(methoxymethyl)phenyl]-3-methyl-1H-indol-5-yl]methyl carbamate
SMILESCOCc1ccccc1-c1[nH]c2ccc(COC(N)=O)cc2c1C
InChIInChI=1S/C19H20N2O3/c1-12-16-9-13(10-24-19(20)22)7-8-17(16)21-18(12)15-6-4-3-5-14(15)11-23-2/h3-9,21H,10-11H2,1-2H3,(H2,20,22)
InChIKeyDAJRIPVYZZRJRD-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.89
Rot. Bonds5

About [2-[2-(methoxymethyl)phenyl]-3-methyl-1H-indol-5-yl]methyl carbamate

[2-[2-(methoxymethyl)phenyl]-3-methyl-1H-indol-5-yl]methyl carbamate (PubChem CID 175322460) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is [2-[2-(methoxymethyl)phenyl]-3-methyl-1H-indol-5-yl]methyl carbamate.

Molecular Properties

Compound Name[2-[2-(methoxymethyl)phenyl]-3-methyl-1H-indol-5-yl]methyl carbamate
PubChem CID175322460
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name[2-[2-(methoxymethyl)phenyl]-3-methyl-1H-indol-5-yl]methyl carbamate
SMILESCOCc1ccccc1-c1[nH]c2ccc(COC(N)=O)cc2c1C
InChIInChI=1S/C19H20N2O3/c1-12-16-9-13(10-24-19(20)22)7-8-17(16)21-18(12)15-6-4-3-5-14(15)11-23-2/h3-9,21H,10-11H2,1-2H3,(H2,20,22)
InChIKeyDAJRIPVYZZRJRD-UHFFFAOYSA-N
XLogP3.89
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(methoxymethyl)phenyl]-3-methyl-1H-indol-5-yl]methyl carbamate?
The IUPAC name of [2-[2-(methoxymethyl)phenyl]-3-methyl-1H-indol-5-yl]methyl carbamate (CID 175322460) is [2-[2-(methoxymethyl)phenyl]-3-methyl-1H-indol-5-yl]methyl carbamate.
What is the SMILES notation for [2-[2-(methoxymethyl)phenyl]-3-methyl-1H-indol-5-yl]methyl carbamate?
The canonical SMILES for [2-[2-(methoxymethyl)phenyl]-3-methyl-1H-indol-5-yl]methyl carbamate is COCc1ccccc1-c1[nH]c2ccc(COC(N)=O)cc2c1C.
What is the InChIKey of [2-[2-(methoxymethyl)phenyl]-3-methyl-1H-indol-5-yl]methyl carbamate?
The InChIKey is DAJRIPVYZZRJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-16-9-13(10-24-19(20)22)7-8-17(16)21-18(12)15-6-4-3-5-14(15)11-23-2/h3-9,21H,10-11H2,1-2H3,(H2,20,22).
What are the key properties of [2-[2-(methoxymethyl)phenyl]-3-methyl-1H-indol-5-yl]methyl carbamate?
[2-[2-(methoxymethyl)phenyl]-3-methyl-1H-indol-5-yl]methyl carbamate has a molecular weight of 324.38 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(methoxymethyl)phenyl]-3-methyl-1H-indol-5-yl]methyl carbamate is sourced from PubChem (CID 175322460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).