[6-[1-(dihydroxyamino)oxyethoxycarbonylamino]-8-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,9-dimethyl-3-(2-methylpropylcarbamoyl)decan-5-yl] 1-(dihydroxyamino)oxyethyl carbonate

C35H62N4O15 — CID 89227221

About [6-[1-(dihydroxyamino)oxyethoxycarbonylamino]-8-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,9-dimethyl-3-(2-methylpropylcarbamoyl)decan-5-yl] 1-(dihydroxyamino)oxyethyl carbonate

[6-[1-(dihydroxyamino)oxyethoxycarbonylamino]-8-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,9-dimethyl-3-(2-methylpropylcarbamoyl)decan-5-yl] 1-(dihydroxyamino)oxyethyl carbonate (PubChem CID 89227221) has the molecular formula C35H62N4O15 and a molecular weight of 778.89 g/mol. Its IUPAC name is [6-[1-(dihydroxyamino)oxyethoxycarbonylamino]-8-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,9-dimethyl-3-(2-methylpropylcarbamoyl)decan-5-yl] 1-(dihydroxyamino)oxyethyl carbonate.

Molecular Properties

• Compound Name: [6-[1-(dihydroxyamino)oxyethoxycarbonylamino]-8-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,9-dimethyl-3-(2-methylpropylcarbamoyl)decan-5-yl] 1-(dihydroxyamino)oxyethyl carbonate
• PubChem CID: 89227221
• Molecular Formula: C35H62N4O15
• Molecular Weight: 778.89 g/mol
• Exact Mass: 778.42
• IUPAC Name: [6-[1-(dihydroxyamino)oxyethoxycarbonylamino]-8-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,9-dimethyl-3-(2-methylpropylcarbamoyl)decan-5-yl] 1-(dihydroxyamino)oxyethyl carbonate
• SMILES: COCCCOc1cc(CC(CC(NC(=O)OC(C)ON(O)O)C(CC(C(=O)NCC(C)C)C(C)C)OC(=O)OC(C)ON(O)O)C(C)C)ccc1OC
• InChI: InChI=1S/C35H62N4O15/c1-21(2)20-36-33(40)28(23(5)6)19-31(52-35(42)51-25(8)54-39(45)46)29(37-34(41)50-24(7)53-38(43)44)18-27(22(3)4)16-26-12-13-30(48-10)32(17-26)49-15-11-14-47-9/h12-13,17,21-25,27-29,31,43-46H,11,14-16,18-20H2,1-10H3,(H,36,40)(H,37,41)
• InChIKey: ZKMINLZTTQORAG-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 236.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 26
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	778.89
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[1-(dihydroxyamino)oxyethoxycarbonylamino]-8-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,9-dimethyl-3-(2-methylpropylcarbamoyl)decan-5-yl] 1-(dihydroxyamino)oxyethyl carbonate?

The IUPAC name of [6-[1-(dihydroxyamino)oxyethoxycarbonylamino]-8-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,9-dimethyl-3-(2-methylpropylcarbamoyl)decan-5-yl] 1-(dihydroxyamino)oxyethyl carbonate (CID 89227221) is [6-[1-(dihydroxyamino)oxyethoxycarbonylamino]-8-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,9-dimethyl-3-(2-methylpropylcarbamoyl)decan-5-yl] 1-(dihydroxyamino)oxyethyl carbonate.

What is the SMILES notation for [6-[1-(dihydroxyamino)oxyethoxycarbonylamino]-8-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,9-dimethyl-3-(2-methylpropylcarbamoyl)decan-5-yl] 1-(dihydroxyamino)oxyethyl carbonate?

The canonical SMILES for [6-[1-(dihydroxyamino)oxyethoxycarbonylamino]-8-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,9-dimethyl-3-(2-methylpropylcarbamoyl)decan-5-yl] 1-(dihydroxyamino)oxyethyl carbonate is COCCCOc1cc(CC(CC(NC(=O)OC(C)ON(O)O)C(CC(C(=O)NCC(C)C)C(C)C)OC(=O)OC(C)ON(O)O)C(C)C)ccc1OC.

What is the InChIKey of [6-[1-(dihydroxyamino)oxyethoxycarbonylamino]-8-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,9-dimethyl-3-(2-methylpropylcarbamoyl)decan-5-yl] 1-(dihydroxyamino)oxyethyl carbonate?

The InChIKey is ZKMINLZTTQORAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H62N4O15/c1-21(2)20-36-33(40)28(23(5)6)19-31(52-35(42)51-25(8)54-39(45)46)29(37-34(41)50-24(7)53-38(43)44)18-27(22(3)4)16-26-12-13-30(48-10)32(17-26)49-15-11-14-47-9/h12-13,17,21-25,27-29,31,43-46H,11,14-16,18-20H2,1-10H3,(H,36,40)(H,37,41).

What are the key properties of [6-[1-(dihydroxyamino)oxyethoxycarbonylamino]-8-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,9-dimethyl-3-(2-methylpropylcarbamoyl)decan-5-yl] 1-(dihydroxyamino)oxyethyl carbonate?

[6-[1-(dihydroxyamino)oxyethoxycarbonylamino]-8-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,9-dimethyl-3-(2-methylpropylcarbamoyl)decan-5-yl] 1-(dihydroxyamino)oxyethyl carbonate has a molecular weight of 778.89 g/mol, XLogP of 5.08, 26 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[1-(dihydroxyamino)oxyethoxycarbonylamino]-8-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,9-dimethyl-3-(2-methylpropylcarbamoyl)decan-5-yl] 1-(dihydroxyamino)oxyethyl carbonate is sourced from PubChem (CID 89227221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).