N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-indole-2-carboxamide

C18H16N2O3 — CID 26444163

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-indole-2-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H16N2O3/c1-20(10-12-6-7-16-17(8-12)23-11-22-16)18(21)15-9-13-4-2-3-5-14(13)19-15/h2-9,19H,10-11H2,1H3
InChIKeyTUWFXRCDZOBEQV-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.17
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-indole-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-indole-2-carboxamide (PubChem CID 26444163) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-indole-2-carboxamide
PubChem CID26444163
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-indole-2-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H16N2O3/c1-20(10-12-6-7-16-17(8-12)23-11-22-16)18(21)15-9-13-4-2-3-5-14(13)19-15/h2-9,19H,10-11H2,1H3
InChIKeyTUWFXRCDZOBEQV-UHFFFAOYSA-N
XLogP3.17
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide
CID 29217686
N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 43421002
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 61118099
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 24548625
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258
N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
CID 32773709
5-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylthiophene-2-carboxamide
CID 18116239
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide
CID 110753656
CID 156649576
CID 156649576
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide
CID 32754750
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-N-methylbenzamide
CID 27863693
3-N-(1,3-benzodioxol-5-ylmethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 35710064

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-indole-2-carboxamide (CID 26444163) is N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-indole-2-carboxamide is CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-indole-2-carboxamide?
The InChIKey is TUWFXRCDZOBEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-20(10-12-6-7-16-17(8-12)23-11-22-16)18(21)15-9-13-4-2-3-5-14(13)19-15/h2-9,19H,10-11H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-indole-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-indole-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 26444163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).