acetyl-(2,3,5,6-tetradeuterio-4-methoxyphenyl)azanide;acetyl-(2,3,5-trideuterio-4-methoxybenzene-6-id-1-yl)azanide;(2,3,5,6-tetradeuterio-4-methoxyphenyl)-(2,2,2-trideuterioacetyl)azanide;N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide;decakis(yttrium)

C36H38N4O8Y10-6 — CID 167706804

IUPACacetyl-(2,3,5,6-tetradeuterio-4-methoxyphenyl)azanide;acetyl-(2,3,5-trideuterio-4-methoxybenzene-6-id-1-yl)azanide;(2,3,5,6-tetradeuterio-4-methoxyphenyl)-(2,2,2-trideuterioacetyl)azanide;N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide;decakis(yttrium)
SMILES[2H]c1[c-]c([N-]C([CH2-])=O)c([2H])c([2H])c1OC.[2H]c1c([2H])c(N([2H])C(=O)C([2H])([2H])[2H])c([2H])c([2H])c1OC.[2H]c1c([2H])c(OC)c([2H])c([2H])c1[N-]C(=O)C([2H])([2H])[2H].[2H]c1c([2H])c(OC)c([2H])c([2H])c1[N-]C([CH2-])=O.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/2C9H11NO2.C9H10NO2.C9H9NO2.10Y/c4*1-7(11)10-8-3-5-9(12-2)6-4-8;;;;;;;;;;/h2*3-6H,1-2H3,(H,10,11);3-6H,1H2,2H3,(H,10,11);3,5-6H,1H2,2H3,(H,10,11);;;;;;;;;;/q;;-1;-2;;;;;;;;;;/p-3/i2*1D3,3D,4D,5D,6D;3D,4D,5D,6D;3D,5D,6D;;;;;;;;;;/hD
InChIKeyUPGSCIDWYIPABD-BMHLCTFYSA-K
MW1565.91 g/mol
LogP7.80
Rot. Bonds10

About acetyl-(2,3,5,6-tetradeuterio-4-methoxyphenyl)azanide;acetyl-(2,3,5-trideuterio-4-methoxybenzene-6-id-1-yl)azanide;(2,3,5,6-tetradeuterio-4-methoxyphenyl)-(2,2,2-trideuterioacetyl)azanide;N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide;decakis(yttrium)

acetyl-(2,3,5,6-tetradeuterio-4-methoxyphenyl)azanide;acetyl-(2,3,5-trideuterio-4-methoxybenzene-6-id-1-yl)azanide;(2,3,5,6-tetradeuterio-4-methoxyphenyl)-(2,2,2-trideuterioacetyl)azanide;N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide;decakis(yttrium) (PubChem CID 167706804) has the molecular formula C36H38N4O8Y10-6 and a molecular weight of 1565.91 g/mol. Its IUPAC name is acetyl-(2,3,5,6-tetradeuterio-4-methoxyphenyl)azanide;acetyl-(2,3,5-trideuterio-4-methoxybenzene-6-id-1-yl)azanide;(2,3,5,6-tetradeuterio-4-methoxyphenyl)-(2,2,2-trideuterioacetyl)azanide;N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide;decakis(yttrium).

Molecular Properties

Compound Nameacetyl-(2,3,5,6-tetradeuterio-4-methoxyphenyl)azanide;acetyl-(2,3,5-trideuterio-4-methoxybenzene-6-id-1-yl)azanide;(2,3,5,6-tetradeuterio-4-methoxyphenyl)-(2,2,2-trideuterioacetyl)azanide;N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide;decakis(yttrium)
PubChem CID167706804
Molecular FormulaC36H38N4O8Y10-6
Molecular Weight1565.91 g/mol
Exact Mass1565.47
IUPAC Nameacetyl-(2,3,5,6-tetradeuterio-4-methoxyphenyl)azanide;acetyl-(2,3,5-trideuterio-4-methoxybenzene-6-id-1-yl)azanide;(2,3,5,6-tetradeuterio-4-methoxyphenyl)-(2,2,2-trideuterioacetyl)azanide;N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide;decakis(yttrium)
SMILES[2H]c1[c-]c([N-]C([CH2-])=O)c([2H])c([2H])c1OC.[2H]c1c([2H])c(N([2H])C(=O)C([2H])([2H])[2H])c([2H])c([2H])c1OC.[2H]c1c([2H])c(OC)c([2H])c([2H])c1[N-]C(=O)C([2H])([2H])[2H].[2H]c1c([2H])c(OC)c([2H])c([2H])c1[N-]C([CH2-])=O.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/2C9H11NO2.C9H10NO2.C9H9NO2.10Y/c4*1-7(11)10-8-3-5-9(12-2)6-4-8;;;;;;;;;;/h2*3-6H,1-2H3,(H,10,11);3-6H,1H2,2H3,(H,10,11);3,5-6H,1H2,2H3,(H,10,11);;;;;;;;;;/q;;-1;-2;;;;;;;;;;/p-3/i2*1D3,3D,4D,5D,6D;3D,4D,5D,6D;3D,5D,6D;;;;;;;;;;/hD
InChIKeyUPGSCIDWYIPABD-BMHLCTFYSA-K
XLogP7.80
TPSA159.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001565.91
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze acetyl-(2,3,5,6-tetradeuterio-4-methoxyphenyl)azanide;acetyl-(2,3,5-trideuterio-4-methoxybenzene-6-id-1-yl)azanide;(2,3,5,6-tetradeuterio-4-methoxyphenyl)-(2,2,2-trideuterioacetyl)azanide;N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide;decakis(yttrium) with MolForge

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Related Compounds

(2,3,5,6-tetradeuterio-4-methoxyphenyl)-(2,2,2-trideuterioacetyl)azanide;N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide;yttrium
CID 165036390
N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide
CID 165036392
N-(2,3-dideuterio-4-methoxyphenyl)acetamide
CID 167581919
N-(3,5-dideuterio-4-methoxyphenyl)acetamide
CID 167581920
N,2,2,2-tetradeuterio-N-[2-(2,3,4,5,6,8-hexadeuterio-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 25176372
1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethoxy)benzene
CID 90475750
(2,3,5,6-tetradeuterio-4-methoxyphenyl)boronic acid
CID 162422450
N-(3-deuterio-4-methoxyphenyl)acetamide
CID 165008373
N-(2,3,4,6-tetradeuterio-5-methoxyphenyl)acetamide
CID 162641860
N'-(4-methoxybenzoyl)phenothiazine-10-carbohydrazide
CID 4928260
1,2,4,5-tetradeuterio-3-methoxy-6-nitrosobenzene
CID 10261185
3,4-dichloro-N'-(4-methoxyphenyl)benzohydrazide
CID 122371137

Frequently Asked Questions

What is the IUPAC name of acetyl-(2,3,5,6-tetradeuterio-4-methoxyphenyl)azanide;acetyl-(2,3,5-trideuterio-4-methoxybenzene-6-id-1-yl)azanide;(2,3,5,6-tetradeuterio-4-methoxyphenyl)-(2,2,2-trideuterioacetyl)azanide;N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide;decakis(yttrium)?
The IUPAC name of acetyl-(2,3,5,6-tetradeuterio-4-methoxyphenyl)azanide;acetyl-(2,3,5-trideuterio-4-methoxybenzene-6-id-1-yl)azanide;(2,3,5,6-tetradeuterio-4-methoxyphenyl)-(2,2,2-trideuterioacetyl)azanide;N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide;decakis(yttrium) (CID 167706804) is acetyl-(2,3,5,6-tetradeuterio-4-methoxyphenyl)azanide;acetyl-(2,3,5-trideuterio-4-methoxybenzene-6-id-1-yl)azanide;(2,3,5,6-tetradeuterio-4-methoxyphenyl)-(2,2,2-trideuterioacetyl)azanide;N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide;decakis(yttrium).
What is the SMILES notation for acetyl-(2,3,5,6-tetradeuterio-4-methoxyphenyl)azanide;acetyl-(2,3,5-trideuterio-4-methoxybenzene-6-id-1-yl)azanide;(2,3,5,6-tetradeuterio-4-methoxyphenyl)-(2,2,2-trideuterioacetyl)azanide;N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide;decakis(yttrium)?
The canonical SMILES for acetyl-(2,3,5,6-tetradeuterio-4-methoxyphenyl)azanide;acetyl-(2,3,5-trideuterio-4-methoxybenzene-6-id-1-yl)azanide;(2,3,5,6-tetradeuterio-4-methoxyphenyl)-(2,2,2-trideuterioacetyl)azanide;N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide;decakis(yttrium) is [2H]c1[c-]c([N-]C([CH2-])=O)c([2H])c([2H])c1OC.[2H]c1c([2H])c(N([2H])C(=O)C([2H])([2H])[2H])c([2H])c([2H])c1OC.[2H]c1c([2H])c(OC)c([2H])c([2H])c1[N-]C(=O)C([2H])([2H])[2H].[2H]c1c([2H])c(OC)c([2H])c([2H])c1[N-]C([CH2-])=O.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of acetyl-(2,3,5,6-tetradeuterio-4-methoxyphenyl)azanide;acetyl-(2,3,5-trideuterio-4-methoxybenzene-6-id-1-yl)azanide;(2,3,5,6-tetradeuterio-4-methoxyphenyl)-(2,2,2-trideuterioacetyl)azanide;N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide;decakis(yttrium)?
The InChIKey is UPGSCIDWYIPABD-BMHLCTFYSA-K. The full InChI is InChI=1S/2C9H11NO2.C9H10NO2.C9H9NO2.10Y/c4*1-7(11)10-8-3-5-9(12-2)6-4-8;;;;;;;;;;/h2*3-6H,1-2H3,(H,10,11);3-6H,1H2,2H3,(H,10,11);3,5-6H,1H2,2H3,(H,10,11);;;;;;;;;;/q;;-1;-2;;;;;;;;;;/p-3/i2*1D3,3D,4D,5D,6D;3D,4D,5D,6D;3D,5D,6D;;;;;;;;;;/hD.
What are the key properties of acetyl-(2,3,5,6-tetradeuterio-4-methoxyphenyl)azanide;acetyl-(2,3,5-trideuterio-4-methoxybenzene-6-id-1-yl)azanide;(2,3,5,6-tetradeuterio-4-methoxyphenyl)-(2,2,2-trideuterioacetyl)azanide;N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide;decakis(yttrium)?
acetyl-(2,3,5,6-tetradeuterio-4-methoxyphenyl)azanide;acetyl-(2,3,5-trideuterio-4-methoxybenzene-6-id-1-yl)azanide;(2,3,5,6-tetradeuterio-4-methoxyphenyl)-(2,2,2-trideuterioacetyl)azanide;N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide;decakis(yttrium) has a molecular weight of 1565.91 g/mol, XLogP of 7.80, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl-(2,3,5,6-tetradeuterio-4-methoxyphenyl)azanide;acetyl-(2,3,5-trideuterio-4-methoxybenzene-6-id-1-yl)azanide;(2,3,5,6-tetradeuterio-4-methoxyphenyl)-(2,2,2-trideuterioacetyl)azanide;N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide;decakis(yttrium) is sourced from PubChem (CID 167706804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).