[5-hydroxy-2-(2-methoxyethylcarbamoyl)-1H-indol-4-yl] formate

C13H14N2O5 — CID 174680851

IUPAC[5-hydroxy-2-(2-methoxyethylcarbamoyl)-1H-indol-4-yl] formate
SMILESCOCCNC(=O)c1cc2c(OC=O)c(O)ccc2[nH]1
InChIInChI=1S/C13H14N2O5/c1-19-5-4-14-13(18)10-6-8-9(15-10)2-3-11(17)12(8)20-7-16/h2-3,6-7,15,17H,4-5H2,1H3,(H,14,18)
InChIKeyQBELYNRVLXFNDV-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.78
Rot. Bonds6

About [5-hydroxy-2-(2-methoxyethylcarbamoyl)-1H-indol-4-yl] formate

[5-hydroxy-2-(2-methoxyethylcarbamoyl)-1H-indol-4-yl] formate (PubChem CID 174680851) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is [5-hydroxy-2-(2-methoxyethylcarbamoyl)-1H-indol-4-yl] formate.

Molecular Properties

Compound Name[5-hydroxy-2-(2-methoxyethylcarbamoyl)-1H-indol-4-yl] formate
PubChem CID174680851
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name[5-hydroxy-2-(2-methoxyethylcarbamoyl)-1H-indol-4-yl] formate
SMILESCOCCNC(=O)c1cc2c(OC=O)c(O)ccc2[nH]1
InChIInChI=1S/C13H14N2O5/c1-19-5-4-14-13(18)10-6-8-9(15-10)2-3-11(17)12(8)20-7-16/h2-3,6-7,15,17H,4-5H2,1H3,(H,14,18)
InChIKeyQBELYNRVLXFNDV-UHFFFAOYSA-N
XLogP0.78
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-hydroxy-2-(2-morpholin-4-ylethylcarbamoyl)-1H-indol-4-yl] formate
CID 174680738
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
2-ethyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 110765503
2,6-dihydroxy-N-(2-methoxyethyl)benzamide
CID 103748859
5-(benzenesulfonamido)-N-(2-methoxyethyl)-1H-indole-2-carboxamide
CID 42808947
4-hydroxy-N-methyl-1H-indole-2-carboxamide
CID 130007884
4-formyl-5-hydroxy-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide
CID 87407686
3,4-dihydroxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]benzamide
CID 177473805
methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate
CID 47153631
3,4-dihydroxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 103956666
6-fluoro-N-(2-methoxyethyl)-2-methyl-1H-indole-3-carboxamide
CID 110849220
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-2-(2-methoxyethylcarbamoyl)-1H-indol-4-yl] formate?
The IUPAC name of [5-hydroxy-2-(2-methoxyethylcarbamoyl)-1H-indol-4-yl] formate (CID 174680851) is [5-hydroxy-2-(2-methoxyethylcarbamoyl)-1H-indol-4-yl] formate.
What is the SMILES notation for [5-hydroxy-2-(2-methoxyethylcarbamoyl)-1H-indol-4-yl] formate?
The canonical SMILES for [5-hydroxy-2-(2-methoxyethylcarbamoyl)-1H-indol-4-yl] formate is COCCNC(=O)c1cc2c(OC=O)c(O)ccc2[nH]1.
What is the InChIKey of [5-hydroxy-2-(2-methoxyethylcarbamoyl)-1H-indol-4-yl] formate?
The InChIKey is QBELYNRVLXFNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-19-5-4-14-13(18)10-6-8-9(15-10)2-3-11(17)12(8)20-7-16/h2-3,6-7,15,17H,4-5H2,1H3,(H,14,18).
What are the key properties of [5-hydroxy-2-(2-methoxyethylcarbamoyl)-1H-indol-4-yl] formate?
[5-hydroxy-2-(2-methoxyethylcarbamoyl)-1H-indol-4-yl] formate has a molecular weight of 278.26 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-2-(2-methoxyethylcarbamoyl)-1H-indol-4-yl] formate is sourced from PubChem (CID 174680851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).