3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide

C20H22N2O4 — CID 113133036

IUPAC3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22N2O4/c1-14-5-3-4-6-17(14)21-20(24)9-10-22(15(2)23)16-7-8-18-19(13-16)26-12-11-25-18/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyQOFJCLYRRVHCNI-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.15
Rot. Bonds5

About 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide

3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide (PubChem CID 113133036) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide
PubChem CID113133036
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H22N2O4/c1-14-5-3-4-6-17(14)21-20(24)9-10-22(15(2)23)16-7-8-18-19(13-16)26-12-11-25-18/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyQOFJCLYRRVHCNI-UHFFFAOYSA-N
XLogP3.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113133087
3-(N-acetyl-3,5-dimethylanilino)-N-(2-methylphenyl)propanamide
CID 113124717
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-methylphenyl)propanamide
CID 113131881
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide
CID 113063038
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,5-dimethylphenyl)acetamide
CID 113178466
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 113132906
3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide
CID 113132296
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide
CID 113132978
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619
methyl 3-[acetyl-[3-(2-methylanilino)-3-oxopropyl]amino]benzoate
CID 113131393
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(4-methylphenyl)propanamide
CID 113132890
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-chloro-2-methylphenyl)acetamide
CID 113178487

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide (CID 113133036) is 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C)c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide?
The InChIKey is QOFJCLYRRVHCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-5-3-4-6-17(14)21-20(24)9-10-22(15(2)23)16-7-8-18-19(13-16)26-12-11-25-18/h3-8,13H,9-12H2,1-2H3,(H,21,24).
What are the key properties of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide?
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide has a molecular weight of 354.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 113133036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).