1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid

C14H18N2O4 — CID 80565258

IUPAC1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCCOCCNC(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C14H18N2O4/c1-2-20-8-7-15-14(19)16-9-11(13(17)18)10-5-3-4-6-12(10)16/h3-6,11H,2,7-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyNLTGHHOQBFTJGX-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.42
Rot. Bonds5

About 1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid

1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80565258) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID80565258
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCCOCCNC(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C14H18N2O4/c1-2-20-8-7-15-14(19)16-9-11(13(17)18)10-5-3-4-6-12(10)16/h3-6,11H,2,7-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyNLTGHHOQBFTJGX-UHFFFAOYSA-N
XLogP1.42
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid (CID 80565258) is 1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid is CCOCCNC(=O)N1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is NLTGHHOQBFTJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-20-8-7-15-14(19)16-9-11(13(17)18)10-5-3-4-6-12(10)16/h3-6,11H,2,7-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid?
1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80565258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).