N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide

C13H15NO3 — CID 60655395

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)C1CC1
InChIInChI=1S/C13H15NO3/c1-14(13(15)10-3-4-10)7-9-2-5-11-12(6-9)17-8-16-11/h2,5-6,10H,3-4,7-8H2,1H3
InChIKeyWGQNHNZKLOXJHX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.78
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide (PubChem CID 60655395) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
PubChem CID60655395
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)C1CC1
InChIInChI=1S/C13H15NO3/c1-14(13(15)10-3-4-10)7-9-2-5-11-12(6-9)17-8-16-11/h2,5-6,10H,3-4,7-8H2,1H3
InChIKeyWGQNHNZKLOXJHX-UHFFFAOYSA-N
XLogP1.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 32544635
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712469
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 78801154
N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylcyclopropanecarboxamide
CID 42723822
tert-butyl 4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]piperidine-1-carboxylate
CID 31339965
(1S)-N-(1,3-benzodioxol-5-ylmethyl)-2,2-dichloro-N-methylcyclopropane-1-carboxamide
CID 39952466
N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388521
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792182
N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpyrrolidine-3-carboxamide
CID 63714960
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoro-N-methylacetamide
CID 62492139
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
CID 42723770
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide
CID 78800834

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide (CID 60655395) is N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide is CN(Cc1ccc2c(c1)OCO2)C(=O)C1CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide?
The InChIKey is WGQNHNZKLOXJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-14(13(15)10-3-4-10)7-9-2-5-11-12(6-9)17-8-16-11/h2,5-6,10H,3-4,7-8H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 60655395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).