N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C19H18N2O6 — CID 110606294

About N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 110606294) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
• PubChem CID: 110606294
• Molecular Formula: C19H18N2O6
• Molecular Weight: 370.36 g/mol
• Exact Mass: 370.12
• IUPAC Name: N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
• SMILES: O=C(Cc1ccc2c(c1)OCCO2)NCC(=O)Nc1ccc2c(c1)OCO2
• InChI: InChI=1S/C19H18N2O6/c22-18(8-12-1-3-14-16(7-12)25-6-5-24-14)20-10-19(23)21-13-2-4-15-17(9-13)27-11-26-15/h1-4,7,9H,5-6,8,10-11H2,(H,20,22)(H,21,23)
• InChIKey: UGEWKWYOKUVRAR-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 95.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.36
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?

The IUPAC name of N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 110606294) is N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

What is the SMILES notation for N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?

The canonical SMILES for N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(Cc1ccc2c(c1)OCCO2)NCC(=O)Nc1ccc2c(c1)OCO2.

What is the InChIKey of N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?

The InChIKey is UGEWKWYOKUVRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c22-18(8-12-1-3-14-16(7-12)25-6-5-24-14)20-10-19(23)21-13-2-4-15-17(9-13)27-11-26-15/h1-4,7,9H,5-6,8,10-11H2,(H,20,22)(H,21,23).

What are the key properties of N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?

N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 370.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 110606294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).