ethyl 3-(propanoylamino)-1H-indole-2-carboxylate

C14H16N2O3 — CID 813716

IUPACethyl 3-(propanoylamino)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1NC(=O)CC
InChIInChI=1S/C14H16N2O3/c1-3-11(17)16-12-9-7-5-6-8-10(9)15-13(12)14(18)19-4-2/h5-8,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyYITUPEUULAOPBS-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.69
Rot. Bonds4

About ethyl 3-(propanoylamino)-1H-indole-2-carboxylate

ethyl 3-(propanoylamino)-1H-indole-2-carboxylate (PubChem CID 813716) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 3-(propanoylamino)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(propanoylamino)-1H-indole-2-carboxylate
PubChem CID813716
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 3-(propanoylamino)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1NC(=O)CC
InChIInChI=1S/C14H16N2O3/c1-3-11(17)16-12-9-7-5-6-8-10(9)15-13(12)14(18)19-4-2/h5-8,15H,3-4H2,1-2H3,(H,16,17)
InChIKeyYITUPEUULAOPBS-UHFFFAOYSA-N
XLogP2.69
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(propanoylamino)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-(propanoylamino)-1H-indole-2-carboxylate (CID 813716) is ethyl 3-(propanoylamino)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-(propanoylamino)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-(propanoylamino)-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CC.
What is the InChIKey of ethyl 3-(propanoylamino)-1H-indole-2-carboxylate?
The InChIKey is YITUPEUULAOPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-11(17)16-12-9-7-5-6-8-10(9)15-13(12)14(18)19-4-2/h5-8,15H,3-4H2,1-2H3,(H,16,17).
What are the key properties of ethyl 3-(propanoylamino)-1H-indole-2-carboxylate?
ethyl 3-(propanoylamino)-1H-indole-2-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(propanoylamino)-1H-indole-2-carboxylate is sourced from PubChem (CID 813716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).