2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide

C19H22N2O4 — CID 31379931

IUPAC2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)Cc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C19H22N2O4/c1-21(12-14-6-7-17-18(10-14)25-9-8-24-17)13-19(22)20-15-4-3-5-16(11-15)23-2/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,20,22)
InChIKeyWVSCTSHWBJSVJD-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.54
Rot. Bonds6

About 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide

2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide (PubChem CID 31379931) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide
PubChem CID31379931
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)Cc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C19H22N2O4/c1-21(12-14-6-7-17-18(10-14)25-9-8-24-17)13-19(22)20-15-4-3-5-16(11-15)23-2/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,20,22)
InChIKeyWVSCTSHWBJSVJD-UHFFFAOYSA-N
XLogP2.54
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(4-methoxyphenyl)acetamide
CID 31379973
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 25163748
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-phenylacetamide
CID 31380025
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 31379941
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173
methyl 4-[[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetyl]amino]benzoate
CID 31380061
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(3-methoxyphenyl)acetamide
CID 7510070
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222934
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 8746165
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2516111
N-(3-methoxyphenyl)-2-[methyl-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]amino]acetamide
CID 8599943

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide (CID 31379931) is 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(C)Cc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is WVSCTSHWBJSVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-21(12-14-6-7-17-18(10-14)25-9-8-24-17)13-19(22)20-15-4-3-5-16(11-15)23-2/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide?
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 342.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 31379931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).