N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxypropyl)propanediamide

C15H20N2O5 — CID 108943393

IUPACN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxypropyl)propanediamide
SMILESCOCCCNC(=O)CC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H20N2O5/c1-20-6-2-5-16-14(18)10-15(19)17-11-3-4-12-13(9-11)22-8-7-21-12/h3-4,9H,2,5-8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyIAUCWCRUHRJLGY-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.94
Rot. Bonds7

About N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxypropyl)propanediamide

N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxypropyl)propanediamide (PubChem CID 108943393) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxypropyl)propanediamide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxypropyl)propanediamide
PubChem CID108943393
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxypropyl)propanediamide
SMILESCOCCCNC(=O)CC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H20N2O5/c1-20-6-2-5-16-14(18)10-15(19)17-11-3-4-12-13(9-11)22-8-7-21-12/h3-4,9H,2,5-8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyIAUCWCRUHRJLGY-UHFFFAOYSA-N
XLogP0.94
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzodioxol-5-ylamino)-N-(3-methoxypropyl)acetamide
CID 60646621
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methoxyethylamino)acetamide
CID 78908360
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082770
N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943352
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251823
methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-oxopropanoate
CID 115174105
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114237
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methylphenyl)methyl]propanediamide
CID 108945839
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052638
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(3-methoxypropyl)propanamide
CID 113132984

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxypropyl)propanediamide?
The IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxypropyl)propanediamide (CID 108943393) is N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxypropyl)propanediamide.
What is the SMILES notation for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxypropyl)propanediamide?
The canonical SMILES for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxypropyl)propanediamide is COCCCNC(=O)CC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxypropyl)propanediamide?
The InChIKey is IAUCWCRUHRJLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-20-6-2-5-16-14(18)10-15(19)17-11-3-4-12-13(9-11)22-8-7-21-12/h3-4,9H,2,5-8,10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxypropyl)propanediamide?
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxypropyl)propanediamide has a molecular weight of 308.33 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxypropyl)propanediamide is sourced from PubChem (CID 108943393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).