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'}

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Related Compounds

CID 9886917
CID 9886917
CID 5304336
CID 5304336
CID 9823464
CID 9823464
CID 845354
CID 845354
CID 965857
CID 965857
CID 1150667
CID 1150667
CID 2742887
CID 2742887
CID 2809943
CID 2809943
CID 2823673
CID 2823673
CID 4899187
CID 4899187
CID 4904384
CID 4904384
CID 7117369
CID 7117369

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).