N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide

C12H15NO4 — CID 60656747

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C12H15NO4/c1-13(12(14)7-15-2)6-9-3-4-10-11(5-9)17-8-16-10/h3-5H,6-8H2,1-2H3
InChIKeyYZSKJPDUSBVLGH-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.02
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide (PubChem CID 60656747) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide
PubChem CID60656747
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C12H15NO4/c1-13(12(14)7-15-2)6-9-3-4-10-11(5-9)17-8-16-10/h3-5H,6-8H2,1-2H3
InChIKeyYZSKJPDUSBVLGH-UHFFFAOYSA-N
XLogP1.02
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-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

Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 60685568
N-(1,3-benzodioxol-5-ylmethyl)-4-(methoxymethyl)-N-methylbenzamide
CID 30510128
2-(3-acetylphenoxy)-N-(1,3-benzodioxol-5-ylmethyl)-N-methylacetamide
CID 32544144
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
CID 17414877
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoro-N-methylacetamide
CID 62492139
N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119690320
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-bromo-4-fluorophenoxy)-N-methylacetamide
CID 18116197
2-(1,3-benzodioxol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 75404810
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-N-methylacetamide
CID 78800834
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide
CID 110753656
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120559274
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60655395

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide (CID 60656747) is N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide is COCC(=O)N(C)Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide?
The InChIKey is YZSKJPDUSBVLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-13(12(14)7-15-2)6-9-3-4-10-11(5-9)17-8-16-10/h3-5H,6-8H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide has a molecular weight of 237.25 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-methoxy-N-methylacetamide is sourced from PubChem (CID 60656747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).