2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,5-dimethylphenyl)acetamide

C20H22N2O4 — CID 113178466

IUPAC2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,5-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cc(C)ccc1C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22N2O4/c1-13-4-5-14(2)17(10-13)21-20(24)12-22(15(3)23)16-6-7-18-19(11-16)26-9-8-25-18/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,24)
InChIKeyZQJZQYPPOFYJRR-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.07
Rot. Bonds4

About 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,5-dimethylphenyl)acetamide

2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 113178466) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,5-dimethylphenyl)acetamide
PubChem CID113178466
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,5-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1cc(C)ccc1C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22N2O4/c1-13-4-5-14(2)17(10-13)21-20(24)12-22(15(3)23)16-6-7-18-19(11-16)26-9-8-25-18/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,24)
InChIKeyZQJZQYPPOFYJRR-UHFFFAOYSA-N
XLogP3.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N,4-diacetylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113175635
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9479956
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113178487
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide
CID 113178447
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide
CID 113178483
2-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113167944
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide
CID 113133036
2-(N-acetyl-4-ethoxyanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113173935
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113178476
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methoxyethyl)acetamide
CID 113178398
ethyl 4-[[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]acetyl]amino]benzoate
CID 113178523
[2-(2,5-dimethylanilino)-2-oxoethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
CID 7623763

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,5-dimethylphenyl)acetamide (CID 113178466) is 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,5-dimethylphenyl)acetamide is CC(=O)N(CC(=O)Nc1cc(C)ccc1C)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is ZQJZQYPPOFYJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13-4-5-14(2)17(10-13)21-20(24)12-22(15(3)23)16-6-7-18-19(11-16)26-9-8-25-18/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,24).
What are the key properties of 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,5-dimethylphenyl)acetamide?
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 113178466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).