methyl N-(2-hydroxy-1H-indol-4-yl)-N-phenylcarbamate

C16H14N2O3 — CID 174421587

IUPACmethyl N-(2-hydroxy-1H-indol-4-yl)-N-phenylcarbamate
SMILESCOC(=O)N(c1ccccc1)c1cccc2[nH]c(O)cc12
InChIInChI=1S/C16H14N2O3/c1-21-16(20)18(11-6-3-2-4-7-11)14-9-5-8-13-12(14)10-15(19)17-13/h2-10,17,19H,1H3
InChIKeyCAHMEDBISZHSSK-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.78
Rot. Bonds2

About methyl N-(2-hydroxy-1H-indol-4-yl)-N-phenylcarbamate

methyl N-(2-hydroxy-1H-indol-4-yl)-N-phenylcarbamate (PubChem CID 174421587) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl N-(2-hydroxy-1H-indol-4-yl)-N-phenylcarbamate.

Molecular Properties

Compound Namemethyl N-(2-hydroxy-1H-indol-4-yl)-N-phenylcarbamate
PubChem CID174421587
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Namemethyl N-(2-hydroxy-1H-indol-4-yl)-N-phenylcarbamate
SMILESCOC(=O)N(c1ccccc1)c1cccc2[nH]c(O)cc12
InChIInChI=1S/C16H14N2O3/c1-21-16(20)18(11-6-3-2-4-7-11)14-9-5-8-13-12(14)10-15(19)17-13/h2-10,17,19H,1H3
InChIKeyCAHMEDBISZHSSK-UHFFFAOYSA-N
XLogP3.78
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-hydroxy-1H-indol-4-yl)-N-phenylcarbamate?
The IUPAC name of methyl N-(2-hydroxy-1H-indol-4-yl)-N-phenylcarbamate (CID 174421587) is methyl N-(2-hydroxy-1H-indol-4-yl)-N-phenylcarbamate.
What is the SMILES notation for methyl N-(2-hydroxy-1H-indol-4-yl)-N-phenylcarbamate?
The canonical SMILES for methyl N-(2-hydroxy-1H-indol-4-yl)-N-phenylcarbamate is COC(=O)N(c1ccccc1)c1cccc2[nH]c(O)cc12.
What is the InChIKey of methyl N-(2-hydroxy-1H-indol-4-yl)-N-phenylcarbamate?
The InChIKey is CAHMEDBISZHSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-21-16(20)18(11-6-3-2-4-7-11)14-9-5-8-13-12(14)10-15(19)17-13/h2-10,17,19H,1H3.
What are the key properties of methyl N-(2-hydroxy-1H-indol-4-yl)-N-phenylcarbamate?
methyl N-(2-hydroxy-1H-indol-4-yl)-N-phenylcarbamate has a molecular weight of 282.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-hydroxy-1H-indol-4-yl)-N-phenylcarbamate is sourced from PubChem (CID 174421587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).