N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(hydroxymethyl)-N-methylbutanamide

C14H19NO4 — CID 115186430

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(hydroxymethyl)-N-methylbutanamide
SMILESCCC(CO)C(=O)N(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO4/c1-3-10(9-16)14(17)15(2)11-4-5-12-13(8-11)19-7-6-18-12/h4-5,8,10,16H,3,6-7,9H2,1-2H3
InChIKeyOTFYINXARGWXEM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.44
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(hydroxymethyl)-N-methylbutanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(hydroxymethyl)-N-methylbutanamide (PubChem CID 115186430) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(hydroxymethyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(hydroxymethyl)-N-methylbutanamide
PubChem CID115186430
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(hydroxymethyl)-N-methylbutanamide
SMILESCCC(CO)C(=O)N(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H19NO4/c1-3-10(9-16)14(17)15(2)11-4-5-12-13(8-11)19-7-6-18-12/h4-5,8,10,16H,3,6-7,9H2,1-2H3
InChIKeyOTFYINXARGWXEM-UHFFFAOYSA-N
XLogP1.44
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 110752776
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-ethylbutanamide
CID 113063034
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-sulfanylpropanamide
CID 115167712
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 28794596
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide
CID 115191645
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide
CID 47097422
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide
CID 110752792
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylacetamide
CID 82496768
3-[1,3-benzodioxol-5-yl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 115164184
N-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 121451464
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-2-sulfanylacetamide
CID 115167016
4-[1,3-benzodioxol-5-yl(methyl)amino]-3-methyl-4-oxobutanoic acid
CID 115164520

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(hydroxymethyl)-N-methylbutanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(hydroxymethyl)-N-methylbutanamide (CID 115186430) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(hydroxymethyl)-N-methylbutanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(hydroxymethyl)-N-methylbutanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(hydroxymethyl)-N-methylbutanamide is CCC(CO)C(=O)N(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(hydroxymethyl)-N-methylbutanamide?
The InChIKey is OTFYINXARGWXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-10(9-16)14(17)15(2)11-4-5-12-13(8-11)19-7-6-18-12/h4-5,8,10,16H,3,6-7,9H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(hydroxymethyl)-N-methylbutanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(hydroxymethyl)-N-methylbutanamide has a molecular weight of 265.31 g/mol, XLogP of 1.44, 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-yl)-2-(hydroxymethyl)-N-methylbutanamide is sourced from PubChem (CID 115186430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).