actinium;N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide

C11H19AcN3O2 — CID 20577869

IUPACactinium;N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide
SMILESCC(=O)NC(C)C(O)CC(C)c1ncc[nH]1.[Ac]
InChIInChI=1S/C11H19N3O2.Ac/c1-7(11-12-4-5-13-11)6-10(16)8(2)14-9(3)15;/h4-5,7-8,10,16H,6H2,1-3H3,(H,12,13)(H,14,15);
InChIKeyOLKJTPWTZBGWEG-UHFFFAOYSA-N
MW452.29 g/mol
LogP0.79
Rot. Bonds5

About actinium;N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide

actinium;N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide (PubChem CID 20577869) has the molecular formula C11H19AcN3O2 and a molecular weight of 452.29 g/mol. Its IUPAC name is actinium;N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide.

Molecular Properties

Compound Nameactinium;N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide
PubChem CID20577869
Molecular FormulaC11H19AcN3O2
Molecular Weight452.29 g/mol
Exact Mass452.18
IUPAC Nameactinium;N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide
SMILESCC(=O)NC(C)C(O)CC(C)c1ncc[nH]1.[Ac]
InChIInChI=1S/C11H19N3O2.Ac/c1-7(11-12-4-5-13-11)6-10(16)8(2)14-9(3)15;/h4-5,7-8,10,16H,6H2,1-3H3,(H,12,13)(H,14,15);
InChIKeyOLKJTPWTZBGWEG-UHFFFAOYSA-N
XLogP0.79
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.29
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of actinium;N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide?
The IUPAC name of actinium;N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide (CID 20577869) is actinium;N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide.
What is the SMILES notation for actinium;N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide?
The canonical SMILES for actinium;N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide is CC(=O)NC(C)C(O)CC(C)c1ncc[nH]1.[Ac].
What is the InChIKey of actinium;N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide?
The InChIKey is OLKJTPWTZBGWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2.Ac/c1-7(11-12-4-5-13-11)6-10(16)8(2)14-9(3)15;/h4-5,7-8,10,16H,6H2,1-3H3,(H,12,13)(H,14,15);.
What are the key properties of actinium;N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide?
actinium;N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide has a molecular weight of 452.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide is sourced from PubChem (CID 20577869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).