2-[2-[2-[2-[2-[2-[11-(3-sulfanylpropanoylamino)undecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[[3-hydroxy-4-(hydroxycarbamoyl)phenyl]methyl]carbamate

C35H61N3O12S — CID 10212507

About 2-[2-[2-[2-[2-[2-[11-(3-sulfanylpropanoylamino)undecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[[3-hydroxy-4-(hydroxycarbamoyl)phenyl]methyl]carbamate

2-[2-[2-[2-[2-[2-[11-(3-sulfanylpropanoylamino)undecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[[3-hydroxy-4-(hydroxycarbamoyl)phenyl]methyl]carbamate (PubChem CID 10212507) has the molecular formula C35H61N3O12S and a molecular weight of 747.95 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[11-(3-sulfanylpropanoylamino)undecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[[3-hydroxy-4-(hydroxycarbamoyl)phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[11-(3-sulfanylpropanoylamino)undecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[[3-hydroxy-4-(hydroxycarbamoyl)phenyl]methyl]carbamate
• PubChem CID: 10212507
• Molecular Formula: C35H61N3O12S
• Molecular Weight: 747.95 g/mol
• Exact Mass: 747.40
• IUPAC Name: 2-[2-[2-[2-[2-[2-[11-(3-sulfanylpropanoylamino)undecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[[3-hydroxy-4-(hydroxycarbamoyl)phenyl]methyl]carbamate
• SMILES: O=C(CCS)NCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOC(=O)NCc1ccc(C(=O)NO)c(O)c1
• InChI: InChI=1S/C35H61N3O12S/c39-32-28-30(10-11-31(32)34(41)38-43)29-37-35(42)50-26-25-49-24-23-48-22-21-47-20-19-46-18-17-45-16-15-44-14-9-7-5-3-1-2-4-6-8-13-36-33(40)12-27-51/h10-11,28,39,43,51H,1-9,12-27,29H2,(H,36,40)(H,37,42)(H,38,41)
• InChIKey: XLZWLKXIIDKQBD-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 192.37 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 35
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	747.95
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[11-(3-sulfanylpropanoylamino)undecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[[3-hydroxy-4-(hydroxycarbamoyl)phenyl]methyl]carbamate?

The IUPAC name of 2-[2-[2-[2-[2-[2-[11-(3-sulfanylpropanoylamino)undecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[[3-hydroxy-4-(hydroxycarbamoyl)phenyl]methyl]carbamate (CID 10212507) is 2-[2-[2-[2-[2-[2-[11-(3-sulfanylpropanoylamino)undecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[[3-hydroxy-4-(hydroxycarbamoyl)phenyl]methyl]carbamate.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[11-(3-sulfanylpropanoylamino)undecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[[3-hydroxy-4-(hydroxycarbamoyl)phenyl]methyl]carbamate?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[11-(3-sulfanylpropanoylamino)undecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[[3-hydroxy-4-(hydroxycarbamoyl)phenyl]methyl]carbamate is O=C(CCS)NCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOC(=O)NCc1ccc(C(=O)NO)c(O)c1.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[11-(3-sulfanylpropanoylamino)undecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[[3-hydroxy-4-(hydroxycarbamoyl)phenyl]methyl]carbamate?

The InChIKey is XLZWLKXIIDKQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H61N3O12S/c39-32-28-30(10-11-31(32)34(41)38-43)29-37-35(42)50-26-25-49-24-23-48-22-21-47-20-19-46-18-17-45-16-15-44-14-9-7-5-3-1-2-4-6-8-13-36-33(40)12-27-51/h10-11,28,39,43,51H,1-9,12-27,29H2,(H,36,40)(H,37,42)(H,38,41).

What are the key properties of 2-[2-[2-[2-[2-[2-[11-(3-sulfanylpropanoylamino)undecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[[3-hydroxy-4-(hydroxycarbamoyl)phenyl]methyl]carbamate?

2-[2-[2-[2-[2-[2-[11-(3-sulfanylpropanoylamino)undecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[[3-hydroxy-4-(hydroxycarbamoyl)phenyl]methyl]carbamate has a molecular weight of 747.95 g/mol, XLogP of 3.78, 35 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[11-(3-sulfanylpropanoylamino)undecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[[3-hydroxy-4-(hydroxycarbamoyl)phenyl]methyl]carbamate is sourced from PubChem (CID 10212507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).