N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

C27H30N2O5 — CID 55575692

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55575692) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

• Compound Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
• PubChem CID: 55575692
• Molecular Formula: C27H30N2O5
• Molecular Weight: 462.55 g/mol
• Exact Mass: 462.22
• IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
• SMILES: CCOc1cc(C(=O)NC(c2ccc3c(c2)OCCO3)C(C)C)ccc1OCc1cccnc1
• InChI: InChI=1S/C27H30N2O5/c1-4-31-24-15-21(8-10-23(24)34-17-19-6-5-11-28-16-19)27(30)29-26(18(2)3)20-7-9-22-25(14-20)33-13-12-32-22/h5-11,14-16,18,26H,4,12-13,17H2,1-3H3,(H,29,30)
• InChIKey: PDALSZKSHUMHJG-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 78.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.55
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?

The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (CID 55575692) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.

What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?

The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)NC(c2ccc3c(c2)OCCO3)C(C)C)ccc1OCc1cccnc1.

What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?

The InChIKey is PDALSZKSHUMHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-4-31-24-15-21(8-10-23(24)34-17-19-6-5-11-28-16-19)27(30)29-26(18(2)3)20-7-9-22-25(14-20)33-13-12-32-22/h5-11,14-16,18,26H,4,12-13,17H2,1-3H3,(H,29,30).

What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 462.55 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55575692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).