(2R)-2-ethoxy-2-methyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]heptanamide

C24H40N2O3 — CID 125061140

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

(2R)-2-ethoxy-2-methyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]heptanamide (PubChem CID 125061140) has the molecular formula C24H40N2O3 and a molecular weight of 404.60 g/mol. Its IUPAC name is (2R)-2-ethoxy-2-methyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]heptanamide.

Molecular Properties

• Compound Name: (2R)-2-ethoxy-2-methyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]heptanamide
• PubChem CID: 125061140
• Molecular Formula: C24H40N2O3
• Molecular Weight: 404.60 g/mol
• Exact Mass: 404.30
• IUPAC Name: (2R)-2-ethoxy-2-methyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]heptanamide
• SMILES: CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1
• InChI: InChI=1S/C24H40N2O3/c1-5-7-9-16-24(4,29-6-2)23(27)25-21-12-14-22(15-13-21)28-19-18-26-17-10-8-11-20(26)3/h12-15,20H,5-11,16-19H2,1-4H3,(H,25,27)/t20-,24-/m1/s1
• InChIKey: PTUWNONDOSOZEY-HYBUGGRVSA-N
• XLogP: 5.25
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.60
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (2R)-2-ethoxy-2-methyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]heptanamide (CID 125061140) is (2R)-2-ethoxy-2-methyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]heptanamide.

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

The canonical SMILES for (2R)-2-ethoxy-2-methyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]heptanamide is CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1.

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

The InChIKey is PTUWNONDOSOZEY-HYBUGGRVSA-N. The full InChI is InChI=1S/C24H40N2O3/c1-5-7-9-16-24(4,29-6-2)23(27)25-21-12-14-22(15-13-21)28-19-18-26-17-10-8-11-20(26)3/h12-15,20H,5-11,16-19H2,1-4H3,(H,25,27)/t20-,24-/m1/s1.

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

(2R)-2-ethoxy-2-methyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]heptanamide has a molecular weight of 404.60 g/mol, XLogP of 5.25, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-ethoxy-2-methyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]heptanamide is sourced from PubChem (CID 125061140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).