N-[2-(1,3-benzodioxol-4-yl)cyclopropyl]-N-methylacetamide

C13H15NO3 — CID 67599407

IUPACN-[2-(1,3-benzodioxol-4-yl)cyclopropyl]-N-methylacetamide
SMILESCC(=O)N(C)C1CC1c1cccc2c1OCO2
InChIInChI=1S/C13H15NO3/c1-8(15)14(2)11-6-10(11)9-4-3-5-12-13(9)17-7-16-12/h3-5,10-11H,6-7H2,1-2H3
InChIKeyIRGWZWWGOBEWHL-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.75
Rot. Bonds2

About N-[2-(1,3-benzodioxol-4-yl)cyclopropyl]-N-methylacetamide

N-[2-(1,3-benzodioxol-4-yl)cyclopropyl]-N-methylacetamide (PubChem CID 67599407) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-4-yl)cyclopropyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-4-yl)cyclopropyl]-N-methylacetamide
PubChem CID67599407
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-[2-(1,3-benzodioxol-4-yl)cyclopropyl]-N-methylacetamide
SMILESCC(=O)N(C)C1CC1c1cccc2c1OCO2
InChIInChI=1S/C13H15NO3/c1-8(15)14(2)11-6-10(11)9-4-3-5-12-13(9)17-7-16-12/h3-5,10-11H,6-7H2,1-2H3
InChIKeyIRGWZWWGOBEWHL-UHFFFAOYSA-N
XLogP1.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(1,3-benzodioxol-4-yl)cyclopropyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-4-yl)cyclopropyl]-N-methylacetamide?
The IUPAC name of N-[2-(1,3-benzodioxol-4-yl)cyclopropyl]-N-methylacetamide (CID 67599407) is N-[2-(1,3-benzodioxol-4-yl)cyclopropyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-4-yl)cyclopropyl]-N-methylacetamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-4-yl)cyclopropyl]-N-methylacetamide is CC(=O)N(C)C1CC1c1cccc2c1OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-4-yl)cyclopropyl]-N-methylacetamide?
The InChIKey is IRGWZWWGOBEWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8(15)14(2)11-6-10(11)9-4-3-5-12-13(9)17-7-16-12/h3-5,10-11H,6-7H2,1-2H3.
What are the key properties of N-[2-(1,3-benzodioxol-4-yl)cyclopropyl]-N-methylacetamide?
N-[2-(1,3-benzodioxol-4-yl)cyclopropyl]-N-methylacetamide has a molecular weight of 233.27 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-4-yl)cyclopropyl]-N-methylacetamide is sourced from PubChem (CID 67599407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).