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

C19H18N2O5 — CID 108956149

IUPACN'-(3-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide
SMILESCC(=O)c1cccc(NC(=O)CC(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C19H18N2O5/c1-12(22)13-3-2-4-14(9-13)20-18(23)11-19(24)21-15-5-6-16-17(10-15)26-8-7-25-16/h2-6,9-10H,7-8,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyOOVXVJZECIYOGK-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.63
Rot. Bonds5

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

N'-(3-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide (PubChem CID 108956149) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is N'-(3-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide.

Molecular Properties

Compound NameN'-(3-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide
PubChem CID108956149
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC NameN'-(3-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide
SMILESCC(=O)c1cccc(NC(=O)CC(=O)Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C19H18N2O5/c1-12(22)13-3-2-4-14(9-13)20-18(23)11-19(24)21-15-5-6-16-17(10-15)26-8-7-25-16/h2-6,9-10H,7-8,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyOOVXVJZECIYOGK-UHFFFAOYSA-N
XLogP2.63
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 2581774
[2-(3-acetylanilino)-2-oxoethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate
CID 18192229
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxobutanamide
CID 18072726
N-(3-acetylphenyl)-N'-(1,3-benzodioxol-5-yl)-2,2-dimethylpropanediamide
CID 108969732
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide
CID 37467922
N'-(3,5-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide
CID 108956712
N'-(3-chloro-2-methylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide
CID 108955118
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylbutanoylamino)benzamide
CID 2218416
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide
CID 6460389
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056943

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide?
The IUPAC name of N'-(3-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide (CID 108956149) is N'-(3-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide.
What is the SMILES notation for N'-(3-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide?
The canonical SMILES for N'-(3-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide is CC(=O)c1cccc(NC(=O)CC(=O)Nc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N'-(3-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide?
The InChIKey is OOVXVJZECIYOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-12(22)13-3-2-4-14(9-13)20-18(23)11-19(24)21-15-5-6-16-17(10-15)26-8-7-25-16/h2-6,9-10H,7-8,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(3-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide?
N'-(3-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide has a molecular weight of 354.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanediamide is sourced from PubChem (CID 108956149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).