(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

C18H21N2O4Y- — CID 165036390

IUPAC(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
SMILES[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].[Y]
InChIInChI=1S/2C9H11NO2.Y/c2*1-7(11)10-8-3-5-9(12-2)6-4-8;/h2*3-6H,1-2H3,(H,10,11);/p-1/i2*1D3,3D,4D,5D,6D;/hD
InChIKeyMCKIXKHWDYWBAN-HHBUQOADSA-M
MW433.37 g/mol
LogP3.90
Rot. Bonds6

About (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

(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 (PubChem CID 165036390) has the molecular formula C18H21N2O4Y- and a molecular weight of 433.37 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID165036390
Molecular FormulaC18H21N2O4Y-
Molecular Weight433.37 g/mol
Exact Mass433.15
IUPAC Name(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
SMILES[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].[Y]
InChIInChI=1S/2C9H11NO2.Y/c2*1-7(11)10-8-3-5-9(12-2)6-4-8;/h2*3-6H,1-2H3,(H,10,11);/p-1/i2*1D3,3D,4D,5D,6D;/hD
InChIKeyMCKIXKHWDYWBAN-HHBUQOADSA-M
XLogP3.90
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide
CID 165036392
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
N-(2,3-dideuterio-4-methoxyphenyl)acetamide
CID 167581919
N-(3,5-dideuterio-4-methoxyphenyl)acetamide
CID 167581920
1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethoxy)benzene
CID 90475750
N-(3-deuterio-4-methoxyphenyl)acetamide
CID 165008373
N-(2,3,4,6-tetradeuterio-5-methoxyphenyl)acetamide
CID 162641860
1,2,4,5-tetradeuterio-3-methoxy-6-nitrosobenzene
CID 10261185
(2,3,5,6-tetradeuterio-4-methoxyphenyl)boronic acid
CID 162422450
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is [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].[Y].
What is the InChIKey of (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?
The InChIKey is MCKIXKHWDYWBAN-HHBUQOADSA-M. The full InChI is InChI=1S/2C9H11NO2.Y/c2*1-7(11)10-8-3-5-9(12-2)6-4-8;/h2*3-6H,1-2H3,(H,10,11);/p-1/i2*1D3,3D,4D,5D,6D;/hD.
What are the key properties of (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?
(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 has a molecular weight of 433.37 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 165036390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).