N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide

C19H20N2O4 — CID 108947205

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide
SMILESCCc1ccccc1NC(=O)CC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H20N2O4/c1-2-14-5-3-4-6-15(14)21-19(23)10-18(22)20-11-13-7-8-16-17(9-13)25-12-24-16/h3-9H,2,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyHJIPLWICULTBRZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.62
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide

N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide (PubChem CID 108947205) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide
PubChem CID108947205
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide
SMILESCCc1ccccc1NC(=O)CC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H20N2O4/c1-2-14-5-3-4-6-15(14)21-19(23)10-18(22)20-11-13-7-8-16-17(9-13)25-12-24-16/h3-9H,2,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyHJIPLWICULTBRZ-UHFFFAOYSA-N
XLogP2.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108947214
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-methoxyphenyl)propanediamide
CID 108947229
1-N-(1,3-benzodioxol-5-ylmethyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976442
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439603
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439602
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,4-dimethylphenyl)propanediamide
CID 108947199
N-benzyl-N'-(2-ethylphenyl)propanediamide
CID 108945270
1,3-benzodioxol-5-ylmethyl-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
CID 8924585
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84556572
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-fluorophenyl)propanediamide
CID 108947217
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-iodophenyl)urea
CID 108868905
2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide
CID 43816753

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide (CID 108947205) is N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide is CCc1ccccc1NC(=O)CC(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide?
The InChIKey is HJIPLWICULTBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-14-5-3-4-6-15(14)21-19(23)10-18(22)20-11-13-7-8-16-17(9-13)25-12-24-16/h3-9H,2,10-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide?
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide has a molecular weight of 340.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide is sourced from PubChem (CID 108947205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).