N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide

C12H15NO4 — CID 31308040

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C12H15NO4/c1-15-8-12(14)13-7-9-2-3-10-11(6-9)17-5-4-16-10/h2-3,6H,4-5,7-8H2,1H3,(H,13,14)
InChIKeyDRZLETVKQYJRCV-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.72
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide (PubChem CID 31308040) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide
PubChem CID31308040
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide
SMILESCOCC(=O)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C12H15NO4/c1-15-8-12(14)13-7-9-2-3-10-11(6-9)17-5-4-16-10/h2-3,6H,4-5,7-8H2,1H3,(H,13,14)
InChIKeyDRZLETVKQYJRCV-UHFFFAOYSA-N
XLogP0.72
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-oxopropanoic acid
CID 62232279
2-(4-tert-butylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 27761157
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 2357345
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxopropanamide
CID 115175589
2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 26678170
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-naphthalen-2-yloxyacetamide
CID 26678252
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 7417533
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38156799
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-hydroxyacetamide
CID 115139805
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 41388522
2-[(4-chlorophenyl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 31322315
2-(butan-2-ylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 61249980

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide (CID 31308040) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide is COCC(=O)NCc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide?
The InChIKey is DRZLETVKQYJRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-15-8-12(14)13-7-9-2-3-10-11(6-9)17-5-4-16-10/h2-3,6H,4-5,7-8H2,1H3,(H,13,14).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide has a molecular weight of 237.25 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyacetamide is sourced from PubChem (CID 31308040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).