4-[2-(dimethylamino)ethoxy]-N-[[(3R)-5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide

C26H29N3O5 — CID 134812708

About 4-[2-(dimethylamino)ethoxy]-N-[[(3R)-5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide

4-[2-(dimethylamino)ethoxy]-N-[[(3R)-5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide (PubChem CID 134812708) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-N-[[(3R)-5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 4-[2-(dimethylamino)ethoxy]-N-[[(3R)-5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
• PubChem CID: 134812708
• Molecular Formula: C26H29N3O5
• Molecular Weight: 463.53 g/mol
• Exact Mass: 463.21
• IUPAC Name: 4-[2-(dimethylamino)ethoxy]-N-[[(3R)-5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
• SMILES: COc1cccc(-c2cccc3c2O[C@H](CNC(=O)c2ccc(OCCN(C)C)cc2)CO3)n1
• InChI: InChI=1S/C26H29N3O5/c1-29(2)14-15-32-19-12-10-18(11-13-19)26(30)27-16-20-17-33-23-8-4-6-21(25(23)34-20)22-7-5-9-24(28-22)31-3/h4-13,20H,14-17H2,1-3H3,(H,27,30)/t20-/m1/s1
• InChIKey: SEONIINQKDOTIR-HXUWFJFHSA-N
• XLogP: 3.27
• TPSA: 82.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.53
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-[[(3R)-5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide?

The IUPAC name of 4-[2-(dimethylamino)ethoxy]-N-[[(3R)-5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide (CID 134812708) is 4-[2-(dimethylamino)ethoxy]-N-[[(3R)-5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide.

What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-N-[[(3R)-5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide?

The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-N-[[(3R)-5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide is COc1cccc(-c2cccc3c2O[C@H](CNC(=O)c2ccc(OCCN(C)C)cc2)CO3)n1.

What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-N-[[(3R)-5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide?

The InChIKey is SEONIINQKDOTIR-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-29(2)14-15-32-19-12-10-18(11-13-19)26(30)27-16-20-17-33-23-8-4-6-21(25(23)34-20)22-7-5-9-24(28-22)31-3/h4-13,20H,14-17H2,1-3H3,(H,27,30)/t20-/m1/s1.

What are the key properties of 4-[2-(dimethylamino)ethoxy]-N-[[(3R)-5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide?

4-[2-(dimethylamino)ethoxy]-N-[[(3R)-5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide has a molecular weight of 463.53 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(dimethylamino)ethoxy]-N-[[(3R)-5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide is sourced from PubChem (CID 134812708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).