3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide

C29H37N3O4 — CID 58103312

About 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide

3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide (PubChem CID 58103312) has the molecular formula C29H37N3O4 and a molecular weight of 491.63 g/mol. Its IUPAC name is 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide.

Molecular Properties

• Compound Name: 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
• PubChem CID: 58103312
• Molecular Formula: C29H37N3O4
• Molecular Weight: 491.63 g/mol
• Exact Mass: 491.28
• IUPAC Name: 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide
• SMILES: COc1ccc(CCOc2cccc(-c3cccc(C(=O)NCC(C)(C)CN(C)C)c3)n2)cc1OC
• InChI: InChI=1S/C29H37N3O4/c1-29(2,20-32(3)4)19-30-28(33)23-10-7-9-22(18-23)24-11-8-12-27(31-24)36-16-15-21-13-14-25(34-5)26(17-21)35-6/h7-14,17-18H,15-16,19-20H2,1-6H3,(H,30,33)
• InChIKey: VIUZXPZWZHHUFF-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 72.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.63
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide?

The IUPAC name of 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide (CID 58103312) is 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide.

What is the SMILES notation for 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide?

The canonical SMILES for 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide is COc1ccc(CCOc2cccc(-c3cccc(C(=O)NCC(C)(C)CN(C)C)c3)n2)cc1OC.

What is the InChIKey of 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide?

The InChIKey is VIUZXPZWZHHUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O4/c1-29(2,20-32(3)4)19-30-28(33)23-10-7-9-22(18-23)24-11-8-12-27(31-24)36-16-15-21-13-14-25(34-5)26(17-21)35-6/h7-14,17-18H,15-16,19-20H2,1-6H3,(H,30,33).

What are the key properties of 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide?

3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide has a molecular weight of 491.63 g/mol, XLogP of 4.70, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide is sourced from PubChem (CID 58103312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).