ethane;1-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-pyridinyl]-2-methylpropan-1-one;1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethanone;vanadium

C35H59N3O10V — CID 178082722

IUPACethane;1-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-pyridinyl]-2-methylpropan-1-one;1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethanone;vanadium
SMILESCC.CC(=O)c1cc(OCCOCCOCCOC(C)C)ccn1.CC(C)C(=O)c1cccc(NCCOCCOCCOCCO)n1.[V]
InChIInChI=1S/C17H28N2O5.C16H25NO5.C2H6.V/c1-14(2)17(21)15-4-3-5-16(19-15)18-6-8-22-10-12-24-13-11-23-9-7-20;1-13(2)21-10-8-19-6-7-20-9-11-22-15-4-5-17-16(12-15)14(3)18;1-2;/h3-5,14,20H,6-13H2,1-2H3,(H,18,19);4-5,12-13H,6-11H2,1-3H3;1-2H3;
InChIKeyCPNROXVCTKWYCL-UHFFFAOYSA-N
MW732.81 g/mol
LogP4.52
Rot. Bonds26

About ethane;1-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-pyridinyl]-2-methylpropan-1-one;1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethanone;vanadium

ethane;1-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-pyridinyl]-2-methylpropan-1-one;1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethanone;vanadium (PubChem CID 178082722) has the molecular formula C35H59N3O10V and a molecular weight of 732.81 g/mol. Its IUPAC name is ethane;1-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-pyridinyl]-2-methylpropan-1-one;1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethanone;vanadium.

Molecular Properties

Compound Nameethane;1-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-pyridinyl]-2-methylpropan-1-one;1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethanone;vanadium
PubChem CID178082722
Molecular FormulaC35H59N3O10V
Molecular Weight732.81 g/mol
Exact Mass732.36
IUPAC Nameethane;1-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-pyridinyl]-2-methylpropan-1-one;1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethanone;vanadium
SMILESCC.CC(=O)c1cc(OCCOCCOCCOC(C)C)ccn1.CC(C)C(=O)c1cccc(NCCOCCOCCOCCO)n1.[V]
InChIInChI=1S/C17H28N2O5.C16H25NO5.C2H6.V/c1-14(2)17(21)15-4-3-5-16(19-15)18-6-8-22-10-12-24-13-11-23-9-7-20;1-13(2)21-10-8-19-6-7-20-9-11-22-15-4-5-17-16(12-15)14(3)18;1-2;/h3-5,14,20H,6-13H2,1-2H3,(H,18,19);4-5,12-13H,6-11H2,1-3H3;1-2H3;
InChIKeyCPNROXVCTKWYCL-UHFFFAOYSA-N
XLogP4.52
TPSA156.79 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds26
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.81
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethane;1-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-pyridinyl]-2-methylpropan-1-one;1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethanone;vanadium with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-pyridinyl]-2-methylpropan-1-one;1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethanone;vanadium?
The IUPAC name of ethane;1-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-pyridinyl]-2-methylpropan-1-one;1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethanone;vanadium (CID 178082722) is ethane;1-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-pyridinyl]-2-methylpropan-1-one;1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethanone;vanadium.
What is the SMILES notation for ethane;1-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-pyridinyl]-2-methylpropan-1-one;1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethanone;vanadium?
The canonical SMILES for ethane;1-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-pyridinyl]-2-methylpropan-1-one;1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethanone;vanadium is CC.CC(=O)c1cc(OCCOCCOCCOC(C)C)ccn1.CC(C)C(=O)c1cccc(NCCOCCOCCOCCO)n1.[V].
What is the InChIKey of ethane;1-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-pyridinyl]-2-methylpropan-1-one;1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethanone;vanadium?
The InChIKey is CPNROXVCTKWYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5.C16H25NO5.C2H6.V/c1-14(2)17(21)15-4-3-5-16(19-15)18-6-8-22-10-12-24-13-11-23-9-7-20;1-13(2)21-10-8-19-6-7-20-9-11-22-15-4-5-17-16(12-15)14(3)18;1-2;/h3-5,14,20H,6-13H2,1-2H3,(H,18,19);4-5,12-13H,6-11H2,1-3H3;1-2H3;.
What are the key properties of ethane;1-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-pyridinyl]-2-methylpropan-1-one;1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethanone;vanadium?
ethane;1-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-pyridinyl]-2-methylpropan-1-one;1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethanone;vanadium has a molecular weight of 732.81 g/mol, XLogP of 4.52, 26 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[6-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-pyridinyl]-2-methylpropan-1-one;1-[4-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]-2-pyridinyl]ethanone;vanadium is sourced from PubChem (CID 178082722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).