N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1H-indole-2-carboxamide

C18H16N2O3 — CID 2823673

IUPACN-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2[nH]c(C(=O)Nc3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C18H16N2O3/c1-10-5-11(2)17-12(6-10)7-14(20-17)18(21)19-13-3-4-15-16(8-13)23-9-22-15/h3-8,20H,9H2,1-2H3,(H,19,21)
InChIKeyAXXUGGLBNFJXQE-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.77
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1H-indole-2-carboxamide

N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1H-indole-2-carboxamide (PubChem CID 2823673) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1H-indole-2-carboxamide
PubChem CID2823673
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1H-indole-2-carboxamide
SMILESCc1cc(C)c2[nH]c(C(=O)Nc3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C18H16N2O3/c1-10-5-11(2)17-12(6-10)7-14(20-17)18(21)19-13-3-4-15-16(8-13)23-9-22-15/h3-8,20H,9H2,1-2H3,(H,19,21)
InChIKeyAXXUGGLBNFJXQE-UHFFFAOYSA-N
XLogP3.77
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1H-indole-2-carboxamide (CID 2823673) is N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1H-indole-2-carboxamide is Cc1cc(C)c2[nH]c(C(=O)Nc3ccc4c(c3)OCO4)cc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1H-indole-2-carboxamide?
The InChIKey is AXXUGGLBNFJXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-10-5-11(2)17-12(6-10)7-14(20-17)18(21)19-13-3-4-15-16(8-13)23-9-22-15/h3-8,20H,9H2,1-2H3,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1H-indole-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-5,7-dimethyl-1H-indole-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.77, 2 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-yl)-5,7-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 2823673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).