N-(2-methanidylpropan-2-yl)-6,6-dimethyl-4-oxoheptanamide;tris(yttrium)

C13H22NO2Y3-3 — CID 162144687

IUPACN-(2-methanidylpropan-2-yl)-6,6-dimethyl-4-oxoheptanamide;tris(yttrium)
SMILES[CH2-]C([CH2-])([CH2-])NC(=O)CCC(=O)CC(C)(C)C.[Y].[Y].[Y]
InChIInChI=1S/C13H22NO2.3Y/c1-12(2,3)9-10(15)7-8-11(16)14-13(4,5)6;;;/h4-9H2,1-3H3,(H,14,16);;;/q-3;;;
InChIKeyZFVUSPHPZZYRSX-UHFFFAOYSA-N
MW491.04 g/mol
LogP2.12
Rot. Bonds5

About N-(2-methanidylpropan-2-yl)-6,6-dimethyl-4-oxoheptanamide;tris(yttrium)

N-(2-methanidylpropan-2-yl)-6,6-dimethyl-4-oxoheptanamide;tris(yttrium) (PubChem CID 162144687) has the molecular formula C13H22NO2Y3-3 and a molecular weight of 491.04 g/mol. Its IUPAC name is N-(2-methanidylpropan-2-yl)-6,6-dimethyl-4-oxoheptanamide;tris(yttrium).

Molecular Properties

Compound NameN-(2-methanidylpropan-2-yl)-6,6-dimethyl-4-oxoheptanamide;tris(yttrium)
PubChem CID162144687
Molecular FormulaC13H22NO2Y3-3
Molecular Weight491.04 g/mol
Exact Mass490.88
IUPAC NameN-(2-methanidylpropan-2-yl)-6,6-dimethyl-4-oxoheptanamide;tris(yttrium)
SMILES[CH2-]C([CH2-])([CH2-])NC(=O)CCC(=O)CC(C)(C)C.[Y].[Y].[Y]
InChIInChI=1S/C13H22NO2.3Y/c1-12(2,3)9-10(15)7-8-11(16)14-13(4,5)6;;;/h4-9H2,1-3H3,(H,14,16);;;/q-3;;;
InChIKeyZFVUSPHPZZYRSX-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.04
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methanidylpropan-2-yl)-6,6-dimethyl-4-oxoheptanamide;tris(yttrium)?
The IUPAC name of N-(2-methanidylpropan-2-yl)-6,6-dimethyl-4-oxoheptanamide;tris(yttrium) (CID 162144687) is N-(2-methanidylpropan-2-yl)-6,6-dimethyl-4-oxoheptanamide;tris(yttrium).
What is the SMILES notation for N-(2-methanidylpropan-2-yl)-6,6-dimethyl-4-oxoheptanamide;tris(yttrium)?
The canonical SMILES for N-(2-methanidylpropan-2-yl)-6,6-dimethyl-4-oxoheptanamide;tris(yttrium) is [CH2-]C([CH2-])([CH2-])NC(=O)CCC(=O)CC(C)(C)C.[Y].[Y].[Y].
What is the InChIKey of N-(2-methanidylpropan-2-yl)-6,6-dimethyl-4-oxoheptanamide;tris(yttrium)?
The InChIKey is ZFVUSPHPZZYRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22NO2.3Y/c1-12(2,3)9-10(15)7-8-11(16)14-13(4,5)6;;;/h4-9H2,1-3H3,(H,14,16);;;/q-3;;;.
What are the key properties of N-(2-methanidylpropan-2-yl)-6,6-dimethyl-4-oxoheptanamide;tris(yttrium)?
N-(2-methanidylpropan-2-yl)-6,6-dimethyl-4-oxoheptanamide;tris(yttrium) has a molecular weight of 491.04 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methanidylpropan-2-yl)-6,6-dimethyl-4-oxoheptanamide;tris(yttrium) is sourced from PubChem (CID 162144687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).