N-(2-indol-1-ylethyl)-1,3-benzodioxole-5-carboxamide

C18H16N2O3 — CID 5106913

IUPACN-(2-indol-1-ylethyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCCn1ccc2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N2O3/c21-18(14-5-6-16-17(11-14)23-12-22-16)19-8-10-20-9-7-13-3-1-2-4-15(13)20/h1-7,9,11H,8,10,12H2,(H,19,21)
InChIKeyRVTWDLCEZYWUCY-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.80
Rot. Bonds4

About N-(2-indol-1-ylethyl)-1,3-benzodioxole-5-carboxamide

N-(2-indol-1-ylethyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 5106913) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)-1,3-benzodioxole-5-carboxamide
PubChem CID5106913
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(2-indol-1-ylethyl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCCn1ccc2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N2O3/c21-18(14-5-6-16-17(11-14)23-12-22-16)19-8-10-20-9-7-13-3-1-2-4-15(13)20/h1-7,9,11H,8,10,12H2,(H,19,21)
InChIKeyRVTWDLCEZYWUCY-UHFFFAOYSA-N
XLogP2.80
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-indol-1-ylethyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2-indol-1-ylethyl)-1,3-benzodioxole-5-carboxamide (CID 5106913) is N-(2-indol-1-ylethyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2-indol-1-ylethyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2-indol-1-ylethyl)-1,3-benzodioxole-5-carboxamide is O=C(NCCn1ccc2ccccc21)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(2-indol-1-ylethyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is RVTWDLCEZYWUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-18(14-5-6-16-17(11-14)23-12-22-16)19-8-10-20-9-7-13-3-1-2-4-15(13)20/h1-7,9,11H,8,10,12H2,(H,19,21).
What are the key properties of N-(2-indol-1-ylethyl)-1,3-benzodioxole-5-carboxamide?
N-(2-indol-1-ylethyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indol-1-ylethyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 5106913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).