[2-(ethylamino)-2-hydroxyethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate

C23H32N2O6 — CID 141239089

About [2-(ethylamino)-2-hydroxyethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate

[2-(ethylamino)-2-hydroxyethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate (PubChem CID 141239089) has the molecular formula C23H32N2O6 and a molecular weight of 432.52 g/mol. Its IUPAC name is [2-(ethylamino)-2-hydroxyethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate.

Molecular Properties

• Compound Name: [2-(ethylamino)-2-hydroxyethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate
• PubChem CID: 141239089
• Molecular Formula: C23H32N2O6
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.23
• IUPAC Name: [2-(ethylamino)-2-hydroxyethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate
• SMILES: CCNC(O)COC(=O)NCCCC1OCC(c2cccc3cc(OC)ccc23)CO1
• InChI: InChI=1S/C23H32N2O6/c1-3-24-21(26)15-31-23(27)25-11-5-8-22-29-13-17(14-30-22)19-7-4-6-16-12-18(28-2)9-10-20(16)19/h4,6-7,9-10,12,17,21-22,24,26H,3,5,8,11,13-15H2,1-2H3,(H,25,27)
• InChIKey: MXSJDGSUBBCZIY-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 98.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-hydroxyethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate?

The IUPAC name of [2-(ethylamino)-2-hydroxyethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate (CID 141239089) is [2-(ethylamino)-2-hydroxyethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate.

What is the SMILES notation for [2-(ethylamino)-2-hydroxyethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate?

The canonical SMILES for [2-(ethylamino)-2-hydroxyethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate is CCNC(O)COC(=O)NCCCC1OCC(c2cccc3cc(OC)ccc23)CO1.

What is the InChIKey of [2-(ethylamino)-2-hydroxyethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate?

The InChIKey is MXSJDGSUBBCZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O6/c1-3-24-21(26)15-31-23(27)25-11-5-8-22-29-13-17(14-30-22)19-7-4-6-16-12-18(28-2)9-10-20(16)19/h4,6-7,9-10,12,17,21-22,24,26H,3,5,8,11,13-15H2,1-2H3,(H,25,27).

What are the key properties of [2-(ethylamino)-2-hydroxyethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate?

[2-(ethylamino)-2-hydroxyethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate has a molecular weight of 432.52 g/mol, XLogP of 2.74, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(ethylamino)-2-hydroxyethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate is sourced from PubChem (CID 141239089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).