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

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Related Compounds

(4R)-5-acetyl-4-(1,3-benzodioxol-4-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 6936160
6-(1,3-benzodioxol-4-yl)-4-hydroxy-1-methylpiperidine-3-carboxylic acid
CID 82667584
N-(1,3-benzodioxol-4-yl)-N-propan-2-ylacetamide
CID 163258801
4-(1,3-benzodioxol-4-yl)but-3-en-2-one
CID 54504381
1,3-benzodioxole-4-carboxylate
CID 6946476
[(1S,3S)-2-(1,3-benzodioxol-4-yl)-4-[2-(1,3-benzodioxol-4-yl)ethyl]-3-(piperidine-1-carbonyl)cyclobutyl]-piperidin-1-ylmethanone
CID 101244005
3-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]-2-methylbutanamide
CID 67599930
4-[2-(1,3-benzodioxol-4-yl)-3,3-dimethyl-4-oxoazetidin-1-yl]adamantane-1-carboxylic acid
CID 59248948
2-[1,3-benzodioxol-4-ylsulfonyl(methyl)amino]-3-methylpentanoic acid
CID 154745228
4-[2-(1,3-benzodioxol-4-yl)-3,3-dimethyl-4-oxoazetidin-1-yl]adamantane-1-carboxamide
CID 59248940
4-(1,3-benzodioxol-4-yl)-5-methylhexan-2-one
CID 83911896
(2S)-2-(1,3-benzodioxol-4-yl)piperazine
CID 171193726

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).