carbanide;[4-[[4-(oxomethylamino)phenyl]methyl]anilino]methanone;bis(yttrium)

C17H18N2O2Y2-4 — CID 140785584

IUPACcarbanide;[4-[[4-(oxomethylamino)phenyl]methyl]anilino]methanone;bis(yttrium)
SMILESO=[C-]Nc1ccc(Cc2ccc(N[C-]=O)cc2)cc1.[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/C15H12N2O2.2CH3.2Y/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;;;;/h1-8H,9H2,(H,16,18)(H,17,19);2*1H3;;/q-2;2*-1;;
InChIKeySLYOMHOHWLCJHD-UHFFFAOYSA-N
MW460.16 g/mol
LogP3.13
Rot. Bonds6

About carbanide;[4-[[4-(oxomethylamino)phenyl]methyl]anilino]methanone;bis(yttrium)

carbanide;[4-[[4-(oxomethylamino)phenyl]methyl]anilino]methanone;bis(yttrium) (PubChem CID 140785584) has the molecular formula C17H18N2O2Y2-4 and a molecular weight of 460.16 g/mol. Its IUPAC name is carbanide;[4-[[4-(oxomethylamino)phenyl]methyl]anilino]methanone;bis(yttrium).

Molecular Properties

Compound Namecarbanide;[4-[[4-(oxomethylamino)phenyl]methyl]anilino]methanone;bis(yttrium)
PubChem CID140785584
Molecular FormulaC17H18N2O2Y2-4
Molecular Weight460.16 g/mol
Exact Mass459.95
IUPAC Namecarbanide;[4-[[4-(oxomethylamino)phenyl]methyl]anilino]methanone;bis(yttrium)
SMILESO=[C-]Nc1ccc(Cc2ccc(N[C-]=O)cc2)cc1.[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/C15H12N2O2.2CH3.2Y/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;;;;/h1-8H,9H2,(H,16,18)(H,17,19);2*1H3;;/q-2;2*-1;;
InChIKeySLYOMHOHWLCJHD-UHFFFAOYSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.16
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;[4-[[4-(oxomethylamino)phenyl]methyl]anilino]methanone;bis(yttrium)?
The IUPAC name of carbanide;[4-[[4-(oxomethylamino)phenyl]methyl]anilino]methanone;bis(yttrium) (CID 140785584) is carbanide;[4-[[4-(oxomethylamino)phenyl]methyl]anilino]methanone;bis(yttrium).
What is the SMILES notation for carbanide;[4-[[4-(oxomethylamino)phenyl]methyl]anilino]methanone;bis(yttrium)?
The canonical SMILES for carbanide;[4-[[4-(oxomethylamino)phenyl]methyl]anilino]methanone;bis(yttrium) is O=[C-]Nc1ccc(Cc2ccc(N[C-]=O)cc2)cc1.[CH3-].[CH3-].[Y].[Y].
What is the InChIKey of carbanide;[4-[[4-(oxomethylamino)phenyl]methyl]anilino]methanone;bis(yttrium)?
The InChIKey is SLYOMHOHWLCJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2.2CH3.2Y/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19;;;;/h1-8H,9H2,(H,16,18)(H,17,19);2*1H3;;/q-2;2*-1;;.
What are the key properties of carbanide;[4-[[4-(oxomethylamino)phenyl]methyl]anilino]methanone;bis(yttrium)?
carbanide;[4-[[4-(oxomethylamino)phenyl]methyl]anilino]methanone;bis(yttrium) has a molecular weight of 460.16 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[4-[[4-(oxomethylamino)phenyl]methyl]anilino]methanone;bis(yttrium) is sourced from PubChem (CID 140785584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).