[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 3-butan-2-ylnaphthalene-2-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 6-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-2-carboxylate

C92H120N8O20 — CID 160913088

About [1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 3-butan-2-ylnaphthalene-2-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 6-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-2-carboxylate

[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 3-butan-2-ylnaphthalene-2-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 6-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-2-carboxylate (PubChem CID 160913088) has the molecular formula C92H120N8O20 and a molecular weight of 1658.01 g/mol. Its IUPAC name is [1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 3-butan-2-ylnaphthalene-2-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 6-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-2-carboxylate.

Molecular Properties

• Compound Name: [1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 3-butan-2-ylnaphthalene-2-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 6-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-2-carboxylate
• PubChem CID: 160913088
• Molecular Formula: C92H120N8O20
• Molecular Weight: 1658.01 g/mol
• Exact Mass: 1656.86
• IUPAC Name: [1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 3-butan-2-ylnaphthalene-2-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 6-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-2-carboxylate
• SMILES: CCC(C)c1cc2ccccc2cc1C(=O)OC1CN(COC)C(=O)N(COC)C1.CCC(C)c1ccc2c(C(=O)OC3CN(COC)C(=O)N(COC)C3)cccc2c1.CCC(C)c1ccc2ccc(C(=O)OC3CN(COC)C(=O)N(COC)C3)cc2c1.CCC(C)c1ccc2cccc(C(=O)OC3CN(COC)C(=O)N(COC)C3)c2c1
• InChI: InChI=1S/4C23H30N2O5/c1-5-16(2)18-8-6-17-7-9-19(11-20(17)10-18)22(26)30-21-12-24(14-28-3)23(27)25(13-21)15-29-4;1-5-16(2)17-9-10-20-18(11-17)7-6-8-21(20)22(26)30-19-12-24(14-28-3)23(27)25(13-19)15-29-4;1-5-16(2)18-10-9-17-7-6-8-20(21(17)11-18)22(26)30-19-12-24(14-28-3)23(27)25(13-19)15-29-4;1-5-16(2)20-10-17-8-6-7-9-18(17)11-21(20)22(26)30-19-12-24(14-28-3)23(27)25(13-19)15-29-4/h6-11,16,21H,5,12-15H2,1-4H3;3*6-11,16,19H,5,12-15H2,1-4H3
• InChIKey: SRAYCSODOUFECQ-UHFFFAOYSA-N
• XLogP: 15.30
• TPSA: 273.24 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 32
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1658.01
LogP ≤ 5	15.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 3-butan-2-ylnaphthalene-2-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 6-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-2-carboxylate?

The IUPAC name of [1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 3-butan-2-ylnaphthalene-2-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 6-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-2-carboxylate (CID 160913088) is [1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 3-butan-2-ylnaphthalene-2-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 6-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-2-carboxylate.

What is the SMILES notation for [1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 3-butan-2-ylnaphthalene-2-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 6-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-2-carboxylate?

The canonical SMILES for [1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 3-butan-2-ylnaphthalene-2-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 6-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-2-carboxylate is CCC(C)c1cc2ccccc2cc1C(=O)OC1CN(COC)C(=O)N(COC)C1.CCC(C)c1ccc2c(C(=O)OC3CN(COC)C(=O)N(COC)C3)cccc2c1.CCC(C)c1ccc2ccc(C(=O)OC3CN(COC)C(=O)N(COC)C3)cc2c1.CCC(C)c1ccc2cccc(C(=O)OC3CN(COC)C(=O)N(COC)C3)c2c1.

What is the InChIKey of [1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 3-butan-2-ylnaphthalene-2-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 6-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-2-carboxylate?

The InChIKey is SRAYCSODOUFECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C23H30N2O5/c1-5-16(2)18-8-6-17-7-9-19(11-20(17)10-18)22(26)30-21-12-24(14-28-3)23(27)25(13-21)15-29-4;1-5-16(2)17-9-10-20-18(11-17)7-6-8-21(20)22(26)30-19-12-24(14-28-3)23(27)25(13-19)15-29-4;1-5-16(2)18-10-9-17-7-6-8-20(21(17)11-18)22(26)30-19-12-24(14-28-3)23(27)25(13-19)15-29-4;1-5-16(2)20-10-17-8-6-7-9-18(17)11-21(20)22(26)30-19-12-24(14-28-3)23(27)25(13-19)15-29-4/h6-11,16,21H,5,12-15H2,1-4H3;3*6-11,16,19H,5,12-15H2,1-4H3.

What are the key properties of [1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 3-butan-2-ylnaphthalene-2-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 6-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-2-carboxylate?

[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 3-butan-2-ylnaphthalene-2-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 6-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-2-carboxylate has a molecular weight of 1658.01 g/mol, XLogP of 15.30, 32 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 3-butan-2-ylnaphthalene-2-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 6-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-1-carboxylate;[1,3-bis(methoxymethyl)-2-oxo-1,3-diazinan-5-yl] 7-butan-2-ylnaphthalene-2-carboxylate is sourced from PubChem (CID 160913088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).