2-ethoxy-N-[2-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide

C26H39N3O4 — CID 91812891

About 2-ethoxy-N-[2-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide

2-ethoxy-N-[2-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide (PubChem CID 91812891) has the molecular formula C26H39N3O4 and a molecular weight of 457.62 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: 2-ethoxy-N-[2-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide
• PubChem CID: 91812891
• Molecular Formula: C26H39N3O4
• Molecular Weight: 457.62 g/mol
• Exact Mass: 457.29
• IUPAC Name: 2-ethoxy-N-[2-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide
• SMILES: CCOc1ccc2ccccc2c1C(=O)NCCN1CCN(CC(O)COC(C)(C)C)CC1
• InChI: InChI=1S/C26H39N3O4/c1-5-32-23-11-10-20-8-6-7-9-22(20)24(23)25(31)27-12-13-28-14-16-29(17-15-28)18-21(30)19-33-26(2,3)4/h6-11,21,30H,5,12-19H2,1-4H3,(H,27,31)
• InChIKey: ATKPQJQJULRIGM-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 74.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.62
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide?

The IUPAC name of 2-ethoxy-N-[2-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide (CID 91812891) is 2-ethoxy-N-[2-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide.

What is the SMILES notation for 2-ethoxy-N-[2-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide?

The canonical SMILES for 2-ethoxy-N-[2-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)NCCN1CCN(CC(O)COC(C)(C)C)CC1.

What is the InChIKey of 2-ethoxy-N-[2-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide?

The InChIKey is ATKPQJQJULRIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O4/c1-5-32-23-11-10-20-8-6-7-9-22(20)24(23)25(31)27-12-13-28-14-16-29(17-15-28)18-21(30)19-33-26(2,3)4/h6-11,21,30H,5,12-19H2,1-4H3,(H,27,31).

What are the key properties of 2-ethoxy-N-[2-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide?

2-ethoxy-N-[2-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide has a molecular weight of 457.62 g/mol, XLogP of 2.76, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-N-[2-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 91812891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).