N-benzyl-N-methyl-1,3-benzodioxole-5-carboxamide

C16H15NO3 — CID 654191

IUPACN-benzyl-N-methyl-1,3-benzodioxole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H15NO3/c1-17(10-12-5-3-2-4-6-12)16(18)13-7-8-14-15(9-13)20-11-19-14/h2-9H,10-11H2,1H3
InChIKeyGCFRGSSFKPOMTP-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.69
Rot. Bonds3

About N-benzyl-N-methyl-1,3-benzodioxole-5-carboxamide

N-benzyl-N-methyl-1,3-benzodioxole-5-carboxamide (PubChem CID 654191) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-benzyl-N-methyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1,3-benzodioxole-5-carboxamide
PubChem CID654191
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-benzyl-N-methyl-1,3-benzodioxole-5-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H15NO3/c1-17(10-12-5-3-2-4-6-12)16(18)13-7-8-14-15(9-13)20-11-19-14/h2-9H,10-11H2,1H3
InChIKeyGCFRGSSFKPOMTP-UHFFFAOYSA-N
XLogP2.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-benzyl-N-methyl-1,3-benzodioxole-5-carboxamide (CID 654191) is N-benzyl-N-methyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-1,3-benzodioxole-5-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-benzyl-N-methyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is GCFRGSSFKPOMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-17(10-12-5-3-2-4-6-12)16(18)13-7-8-14-15(9-13)20-11-19-14/h2-9H,10-11H2,1H3.
What are the key properties of N-benzyl-N-methyl-1,3-benzodioxole-5-carboxamide?
N-benzyl-N-methyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 654191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).