2-(3-methanidylidene-2-methylinden-1-yl)-2-oxo-N-(2-phenylpropan-2-yl)acetamide;yttrium

C22H20NO2Y- — CID 59902849

IUPAC2-(3-methanidylidene-2-methylinden-1-yl)-2-oxo-N-(2-phenylpropan-2-yl)acetamide;yttrium
SMILES[H]/[C-]=C1\C(C)=C(C(=O)C(=O)NC(C)(C)c2ccccc2)c2ccccc21.[Y]
InChIInChI=1S/C22H20NO2.Y/c1-14-15(2)19(18-13-9-8-12-17(14)18)20(24)21(25)23-22(3,4)16-10-6-5-7-11-16;/h1,5-13H,2-4H3,(H,23,25);/q-1;
InChIKeyARGHTAJJDZHIHI-UHFFFAOYSA-N
MW419.31 g/mol
LogP3.91
Rot. Bonds4

About 2-(3-methanidylidene-2-methylinden-1-yl)-2-oxo-N-(2-phenylpropan-2-yl)acetamide;yttrium

2-(3-methanidylidene-2-methylinden-1-yl)-2-oxo-N-(2-phenylpropan-2-yl)acetamide;yttrium (PubChem CID 59902849) has the molecular formula C22H20NO2Y- and a molecular weight of 419.31 g/mol. Its IUPAC name is 2-(3-methanidylidene-2-methylinden-1-yl)-2-oxo-N-(2-phenylpropan-2-yl)acetamide;yttrium.

Molecular Properties

Compound Name2-(3-methanidylidene-2-methylinden-1-yl)-2-oxo-N-(2-phenylpropan-2-yl)acetamide;yttrium
PubChem CID59902849
Molecular FormulaC22H20NO2Y-
Molecular Weight419.31 g/mol
Exact Mass419.06
IUPAC Name2-(3-methanidylidene-2-methylinden-1-yl)-2-oxo-N-(2-phenylpropan-2-yl)acetamide;yttrium
SMILES[H]/[C-]=C1\C(C)=C(C(=O)C(=O)NC(C)(C)c2ccccc2)c2ccccc21.[Y]
InChIInChI=1S/C22H20NO2.Y/c1-14-15(2)19(18-13-9-8-12-17(14)18)20(24)21(25)23-22(3,4)16-10-6-5-7-11-16;/h1,5-13H,2-4H3,(H,23,25);/q-1;
InChIKeyARGHTAJJDZHIHI-UHFFFAOYSA-N
XLogP3.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenylpropan-2-ylcarbamic acid
CID 23445609
ethane;2-(3-methanidylidene-2-methylinden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;2-(2-methyl-3H-inden-1-yl)-N-(2-phenylpropan-2-yl)acetamide;bis(2-phenylpropan-2-amine);yttrium
CID 158962733
2-(4-methylphenyl)-N-(2-phenylpropan-2-yl)benzamide
CID 101062971
2-iodo-N-(2-phenylpropan-2-yl)acetamide
CID 119087378
2-(3-chlorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118326
N-[3,5-bis(trifluoromethyl)phenyl]-N'-(2-phenylpropan-2-yl)oxamide
CID 100722444
N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
CID 113091749
2-(2-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 110490509
1-ethyl-3-(2-phenylpropan-2-yl)urea
CID 110490506
2,3-dimethyl-N-(2-phenylpropan-2-yl)benzamide
CID 47444747
2-(4-fluorophenyl)-N-(2-phenylpropan-2-yl)acetamide
CID 13118330
3-methyl-2-(2-phenylpropan-2-ylcarbamoylamino)butanoic acid
CID 110490526

Frequently Asked Questions

What is the IUPAC name of 2-(3-methanidylidene-2-methylinden-1-yl)-2-oxo-N-(2-phenylpropan-2-yl)acetamide;yttrium?
The IUPAC name of 2-(3-methanidylidene-2-methylinden-1-yl)-2-oxo-N-(2-phenylpropan-2-yl)acetamide;yttrium (CID 59902849) is 2-(3-methanidylidene-2-methylinden-1-yl)-2-oxo-N-(2-phenylpropan-2-yl)acetamide;yttrium.
What is the SMILES notation for 2-(3-methanidylidene-2-methylinden-1-yl)-2-oxo-N-(2-phenylpropan-2-yl)acetamide;yttrium?
The canonical SMILES for 2-(3-methanidylidene-2-methylinden-1-yl)-2-oxo-N-(2-phenylpropan-2-yl)acetamide;yttrium is [H]/[C-]=C1\C(C)=C(C(=O)C(=O)NC(C)(C)c2ccccc2)c2ccccc21.[Y].
What is the InChIKey of 2-(3-methanidylidene-2-methylinden-1-yl)-2-oxo-N-(2-phenylpropan-2-yl)acetamide;yttrium?
The InChIKey is ARGHTAJJDZHIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20NO2.Y/c1-14-15(2)19(18-13-9-8-12-17(14)18)20(24)21(25)23-22(3,4)16-10-6-5-7-11-16;/h1,5-13H,2-4H3,(H,23,25);/q-1;.
What are the key properties of 2-(3-methanidylidene-2-methylinden-1-yl)-2-oxo-N-(2-phenylpropan-2-yl)acetamide;yttrium?
2-(3-methanidylidene-2-methylinden-1-yl)-2-oxo-N-(2-phenylpropan-2-yl)acetamide;yttrium has a molecular weight of 419.31 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methanidylidene-2-methylinden-1-yl)-2-oxo-N-(2-phenylpropan-2-yl)acetamide;yttrium is sourced from PubChem (CID 59902849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).