actinium;(4-benzamido-3-hydroxy-6-methylheptyl)-ethylazanide

C17H27AcN2O2- — CID 59941342

IUPACactinium;(4-benzamido-3-hydroxy-6-methylheptyl)-ethylazanide
SMILESCC[N-]CCC(O)C(CC(C)C)NC(=O)c1ccccc1.[Ac]
InChIInChI=1S/C17H27N2O2.Ac/c1-4-18-11-10-16(20)15(12-13(2)3)19-17(21)14-8-6-5-7-9-14;/h5-9,13,15-16,20H,4,10-12H2,1-3H3,(H,19,21);/q-1;
InChIKeySROPKFOWWOXWEZ-UHFFFAOYSA-N
MW518.42 g/mol
LogP2.98
Rot. Bonds9

About actinium;(4-benzamido-3-hydroxy-6-methylheptyl)-ethylazanide

actinium;(4-benzamido-3-hydroxy-6-methylheptyl)-ethylazanide (PubChem CID 59941342) has the molecular formula C17H27AcN2O2- and a molecular weight of 518.42 g/mol. Its IUPAC name is actinium;(4-benzamido-3-hydroxy-6-methylheptyl)-ethylazanide.

Molecular Properties

Compound Nameactinium;(4-benzamido-3-hydroxy-6-methylheptyl)-ethylazanide
PubChem CID59941342
Molecular FormulaC17H27AcN2O2-
Molecular Weight518.42 g/mol
Exact Mass518.24
IUPAC Nameactinium;(4-benzamido-3-hydroxy-6-methylheptyl)-ethylazanide
SMILESCC[N-]CCC(O)C(CC(C)C)NC(=O)c1ccccc1.[Ac]
InChIInChI=1S/C17H27N2O2.Ac/c1-4-18-11-10-16(20)15(12-13(2)3)19-17(21)14-8-6-5-7-9-14;/h5-9,13,15-16,20H,4,10-12H2,1-3H3,(H,19,21);/q-1;
InChIKeySROPKFOWWOXWEZ-UHFFFAOYSA-N
XLogP2.98
TPSA63.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of actinium;(4-benzamido-3-hydroxy-6-methylheptyl)-ethylazanide?
The IUPAC name of actinium;(4-benzamido-3-hydroxy-6-methylheptyl)-ethylazanide (CID 59941342) is actinium;(4-benzamido-3-hydroxy-6-methylheptyl)-ethylazanide.
What is the SMILES notation for actinium;(4-benzamido-3-hydroxy-6-methylheptyl)-ethylazanide?
The canonical SMILES for actinium;(4-benzamido-3-hydroxy-6-methylheptyl)-ethylazanide is CC[N-]CCC(O)C(CC(C)C)NC(=O)c1ccccc1.[Ac].
What is the InChIKey of actinium;(4-benzamido-3-hydroxy-6-methylheptyl)-ethylazanide?
The InChIKey is SROPKFOWWOXWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N2O2.Ac/c1-4-18-11-10-16(20)15(12-13(2)3)19-17(21)14-8-6-5-7-9-14;/h5-9,13,15-16,20H,4,10-12H2,1-3H3,(H,19,21);/q-1;.
What are the key properties of actinium;(4-benzamido-3-hydroxy-6-methylheptyl)-ethylazanide?
actinium;(4-benzamido-3-hydroxy-6-methylheptyl)-ethylazanide has a molecular weight of 518.42 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(4-benzamido-3-hydroxy-6-methylheptyl)-ethylazanide is sourced from PubChem (CID 59941342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).