[10-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl] 2-(4-methoxyphenyl)acetate

C47H70ClN3O11 — CID 123782348

About [10-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl] 2-(4-methoxyphenyl)acetate

[10-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl] 2-(4-methoxyphenyl)acetate (PubChem CID 123782348) has the molecular formula C47H70ClN3O11 and a molecular weight of 888.54 g/mol. Its IUPAC name is [10-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

• Compound Name: [10-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl] 2-(4-methoxyphenyl)acetate
• PubChem CID: 123782348
• Molecular Formula: C47H70ClN3O11
• Molecular Weight: 888.54 g/mol
• Exact Mass: 887.47
• IUPAC Name: [10-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl] 2-(4-methoxyphenyl)acetate
• SMILES: CCC1OC(=O)C(C)C(OC(=O)Cc2ccc(OC)cc2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=NN=C(C)c2ccc(Cl)cc2)C(C)C(O)C1(C)O
• InChI: InChI=1S/C47H70ClN3O11/c1-14-37-47(9,56)42(54)28(4)39(50-49-31(7)33-17-19-34(48)20-18-33)26(2)25-46(8,58-13)43(62-45-40(53)36(51(10)11)23-27(3)59-45)29(5)41(30(6)44(55)60-37)61-38(52)24-32-15-21-35(57-12)22-16-32/h15-22,26-30,36-37,40-43,45,53-54,56H,14,23-25H2,1-13H3
• InChIKey: SIRHHYFNYFBGQJ-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 178.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	888.54
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [10-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl] 2-(4-methoxyphenyl)acetate?

The IUPAC name of [10-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl] 2-(4-methoxyphenyl)acetate (CID 123782348) is [10-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl] 2-(4-methoxyphenyl)acetate.

What is the SMILES notation for [10-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl] 2-(4-methoxyphenyl)acetate?

The canonical SMILES for [10-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl] 2-(4-methoxyphenyl)acetate is CCC1OC(=O)C(C)C(OC(=O)Cc2ccc(OC)cc2)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C(=NN=C(C)c2ccc(Cl)cc2)C(C)C(O)C1(C)O.

What is the InChIKey of [10-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl] 2-(4-methoxyphenyl)acetate?

The InChIKey is SIRHHYFNYFBGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H70ClN3O11/c1-14-37-47(9,56)42(54)28(4)39(50-49-31(7)33-17-19-34(48)20-18-33)26(2)25-46(8,58-13)43(62-45-40(53)36(51(10)11)23-27(3)59-45)29(5)41(30(6)44(55)60-37)61-38(52)24-32-15-21-35(57-12)22-16-32/h15-22,26-30,36-37,40-43,45,53-54,56H,14,23-25H2,1-13H3.

What are the key properties of [10-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl] 2-(4-methoxyphenyl)acetate?

[10-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl] 2-(4-methoxyphenyl)acetate has a molecular weight of 888.54 g/mol, XLogP of 6.27, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [10-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-4-yl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 123782348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).