N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)acetamide

C18H16N2O3 — CID 646740

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N2O3/c21-18(8-13-10-19-15-4-2-1-3-14(13)15)20-9-12-5-6-16-17(7-12)23-11-22-16/h1-7,10,19H,8-9,11H2,(H,20,21)
InChIKeyKXGQQEKJVLZKAU-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.76
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)acetamide (PubChem CID 646740) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)acetamide
PubChem CID646740
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H16N2O3/c21-18(8-13-10-19-15-4-2-1-3-14(13)15)20-9-12-5-6-16-17(7-12)23-11-22-16/h1-7,10,19H,8-9,11H2,(H,20,21)
InChIKeyKXGQQEKJVLZKAU-UHFFFAOYSA-N
XLogP2.76
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)acetamide (CID 646740) is N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is KXGQQEKJVLZKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-18(8-13-10-19-15-4-2-1-3-14(13)15)20-9-12-5-6-16-17(7-12)23-11-22-16/h1-7,10,19H,8-9,11H2,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 308.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 646740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).