2-ethoxy-4-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-(2-methylpropyl)pentanamide

C26H44N2O3 — CID 100725916

About 2-ethoxy-4-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-(2-methylpropyl)pentanamide

2-ethoxy-4-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-(2-methylpropyl)pentanamide (PubChem CID 100725916) has the molecular formula C26H44N2O3 and a molecular weight of 432.65 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-(2-methylpropyl)pentanamide.

Molecular Properties

• Compound Name: 2-ethoxy-4-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-(2-methylpropyl)pentanamide
• PubChem CID: 100725916
• Molecular Formula: C26H44N2O3
• Molecular Weight: 432.65 g/mol
• Exact Mass: 432.34
• IUPAC Name: 2-ethoxy-4-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-(2-methylpropyl)pentanamide
• SMILES: CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1
• InChI: InChI=1S/C26H44N2O3/c1-7-31-26(17-20(2)3,18-21(4)5)25(29)27-23-10-12-24(13-11-23)30-16-15-28-14-8-9-22(6)19-28/h10-13,20-22H,7-9,14-19H2,1-6H3,(H,27,29)/t22-/m1/s1
• InChIKey: SBIZTRCUQCYSGO-JOCHJYFZSA-N
• XLogP: 5.60
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.65
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-(2-methylpropyl)pentanamide?

The IUPAC name of 2-ethoxy-4-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-(2-methylpropyl)pentanamide (CID 100725916) is 2-ethoxy-4-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-(2-methylpropyl)pentanamide.

What is the SMILES notation for 2-ethoxy-4-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-(2-methylpropyl)pentanamide?

The canonical SMILES for 2-ethoxy-4-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-(2-methylpropyl)pentanamide is CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1.

What is the InChIKey of 2-ethoxy-4-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-(2-methylpropyl)pentanamide?

The InChIKey is SBIZTRCUQCYSGO-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H44N2O3/c1-7-31-26(17-20(2)3,18-21(4)5)25(29)27-23-10-12-24(13-11-23)30-16-15-28-14-8-9-22(6)19-28/h10-13,20-22H,7-9,14-19H2,1-6H3,(H,27,29)/t22-/m1/s1.

What are the key properties of 2-ethoxy-4-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-(2-methylpropyl)pentanamide?

2-ethoxy-4-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-(2-methylpropyl)pentanamide has a molecular weight of 432.65 g/mol, XLogP of 5.60, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-4-methyl-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]-2-(2-methylpropyl)pentanamide is sourced from PubChem (CID 100725916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).