[2-[[2-[[2-[(2-ethoxyphenoxy)methyl]oxane-4-carbonyl]oxymethoxy]-2-oxoethyl]-methylamino]acetyl]oxymethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate

C36H48N2O14 — CID 165136136

About [2-[[2-[[2-[(2-ethoxyphenoxy)methyl]oxane-4-carbonyl]oxymethoxy]-2-oxoethyl]-methylamino]acetyl]oxymethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate

[2-[[2-[[2-[(2-ethoxyphenoxy)methyl]oxane-4-carbonyl]oxymethoxy]-2-oxoethyl]-methylamino]acetyl]oxymethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate (PubChem CID 165136136) has the molecular formula C36H48N2O14 and a molecular weight of 732.78 g/mol. Its IUPAC name is [2-[[2-[[2-[(2-ethoxyphenoxy)methyl]oxane-4-carbonyl]oxymethoxy]-2-oxoethyl]-methylamino]acetyl]oxymethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate.

Molecular Properties

• Compound Name: [2-[[2-[[2-[(2-ethoxyphenoxy)methyl]oxane-4-carbonyl]oxymethoxy]-2-oxoethyl]-methylamino]acetyl]oxymethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate
• PubChem CID: 165136136
• Molecular Formula: C36H48N2O14
• Molecular Weight: 732.78 g/mol
• Exact Mass: 732.31
• IUPAC Name: [2-[[2-[[2-[(2-ethoxyphenoxy)methyl]oxane-4-carbonyl]oxymethoxy]-2-oxoethyl]-methylamino]acetyl]oxymethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate
• SMILES: CCOc1ccccc1OCC1CC(C(=O)OCOC(=O)CN(C)CC(=O)OCOC(=O)N2CCOC(COc3ccccc3OCC)C2)CCO1
• InChI: InChI=1S/C36H48N2O14/c1-4-43-29-10-6-8-12-31(29)47-22-27-18-26(14-16-45-27)35(41)51-24-49-33(39)20-37(3)21-34(40)50-25-52-36(42)38-15-17-46-28(19-38)23-48-32-13-9-7-11-30(32)44-5-2/h6-13,26-28H,4-5,14-25H2,1-3H3
• InChIKey: SAIRLRPMTLTSBX-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 167.06 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.78
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[[2-[[2-[(2-ethoxyphenoxy)methyl]oxane-4-carbonyl]oxymethoxy]-2-oxoethyl]-methylamino]acetyl]oxymethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate?

The IUPAC name of [2-[[2-[[2-[(2-ethoxyphenoxy)methyl]oxane-4-carbonyl]oxymethoxy]-2-oxoethyl]-methylamino]acetyl]oxymethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate (CID 165136136) is [2-[[2-[[2-[(2-ethoxyphenoxy)methyl]oxane-4-carbonyl]oxymethoxy]-2-oxoethyl]-methylamino]acetyl]oxymethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate.

What is the SMILES notation for [2-[[2-[[2-[(2-ethoxyphenoxy)methyl]oxane-4-carbonyl]oxymethoxy]-2-oxoethyl]-methylamino]acetyl]oxymethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate?

The canonical SMILES for [2-[[2-[[2-[(2-ethoxyphenoxy)methyl]oxane-4-carbonyl]oxymethoxy]-2-oxoethyl]-methylamino]acetyl]oxymethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate is CCOc1ccccc1OCC1CC(C(=O)OCOC(=O)CN(C)CC(=O)OCOC(=O)N2CCOC(COc3ccccc3OCC)C2)CCO1.

What is the InChIKey of [2-[[2-[[2-[(2-ethoxyphenoxy)methyl]oxane-4-carbonyl]oxymethoxy]-2-oxoethyl]-methylamino]acetyl]oxymethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate?

The InChIKey is SAIRLRPMTLTSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N2O14/c1-4-43-29-10-6-8-12-31(29)47-22-27-18-26(14-16-45-27)35(41)51-24-49-33(39)20-37(3)21-34(40)50-25-52-36(42)38-15-17-46-28(19-38)23-48-32-13-9-7-11-30(32)44-5-2/h6-13,26-28H,4-5,14-25H2,1-3H3.

What are the key properties of [2-[[2-[[2-[(2-ethoxyphenoxy)methyl]oxane-4-carbonyl]oxymethoxy]-2-oxoethyl]-methylamino]acetyl]oxymethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate?

[2-[[2-[[2-[(2-ethoxyphenoxy)methyl]oxane-4-carbonyl]oxymethoxy]-2-oxoethyl]-methylamino]acetyl]oxymethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate has a molecular weight of 732.78 g/mol, XLogP of 3.05, 19 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[2-[[2-[(2-ethoxyphenoxy)methyl]oxane-4-carbonyl]oxymethoxy]-2-oxoethyl]-methylamino]acetyl]oxymethyl 2-[(2-ethoxyphenoxy)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 165136136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).