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

C21H22N2O6 — CID 113133087

IUPAC3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H22N2O6/c1-14(24)23(16-3-5-18-20(13-16)29-11-9-27-18)7-6-21(25)22-15-2-4-17-19(12-15)28-10-8-26-17/h2-5,12-13H,6-11H2,1H3,(H,22,25)
InChIKeyQVPVMKFMOHDLLJ-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.61
Rot. Bonds5

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

3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 113133087) has the molecular formula C21H22N2O6 and a molecular weight of 398.42 g/mol. Its IUPAC name is 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID113133087
Molecular FormulaC21H22N2O6
Molecular Weight398.42 g/mol
Exact Mass398.15
IUPAC Name3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H22N2O6/c1-14(24)23(16-3-5-18-20(13-16)29-11-9-27-18)7-6-21(25)22-15-2-4-17-19(12-15)28-10-8-26-17/h2-5,12-13H,6-11H2,1H3,(H,22,25)
InChIKeyQVPVMKFMOHDLLJ-UHFFFAOYSA-N
XLogP2.61
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(4-methylphenyl)propanamide
CID 113132890
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(3,4-dichlorophenyl)propanamide
CID 113132955
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(4-chlorophenyl)propanamide
CID 113132915
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methylphenyl)propanamide
CID 113133036
3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide
CID 113134144
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113127938
methyl 4-[3-[acetyl(1,3-benzodioxol-5-yl)amino]propanoylamino]benzoate
CID 113132944
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113135819
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-cyclopentylpropanamide
CID 113132978
3-[acetyl(propyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113115082
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-fluorophenyl)acetamide
CID 113178483
3-[acetyl(cycloheptyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113122776

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 113133087) is 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is CC(=O)N(CCC(=O)Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is QVPVMKFMOHDLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6/c1-14(24)23(16-3-5-18-20(13-16)29-11-9-27-18)7-6-21(25)22-15-2-4-17-19(12-15)28-10-8-26-17/h2-5,12-13H,6-11H2,1H3,(H,22,25).
What are the key properties of 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 398.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 113133087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).