N-(1,3-benzodioxol-5-yl)-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide

C19H16N2O4 — CID 7087372

IUPACN-(1,3-benzodioxol-5-yl)-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide
SMILESCc1c(C(=O)C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2n1C
InChIInChI=1S/C19H16N2O4/c1-11-17(13-5-3-4-6-14(13)21(11)2)18(22)19(23)20-12-7-8-15-16(9-12)25-10-24-15/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyAMBYOYRZLILLQN-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.04
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide

N-(1,3-benzodioxol-5-yl)-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide (PubChem CID 7087372) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide
PubChem CID7087372
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide
SMILESCc1c(C(=O)C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2n1C
InChIInChI=1S/C19H16N2O4/c1-11-17(13-5-3-4-6-14(13)21(11)2)18(22)19(23)20-12-7-8-15-16(9-12)25-10-24-15/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyAMBYOYRZLILLQN-UHFFFAOYSA-N
XLogP3.04
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1,3-benzodioxol-5-yl)-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide 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-yl)-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide (CID 7087372) is N-(1,3-benzodioxol-5-yl)-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide is Cc1c(C(=O)C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2n1C.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide?
The InChIKey is AMBYOYRZLILLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-11-17(13-5-3-4-6-14(13)21(11)2)18(22)19(23)20-12-7-8-15-16(9-12)25-10-24-15/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide?
N-(1,3-benzodioxol-5-yl)-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide has a molecular weight of 336.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(1,2-dimethylindol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 7087372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).