N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide

C9H11NO2 — CID 165036392

IUPACN,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide
SMILES[2H]c1c([2H])c(N([2H])C(=O)C([2H])([2H])[2H])c([2H])c([2H])c1OC
InChIInChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)/i1D3,3D,4D,5D,6D/hD
InChIKeyXVAIDCNLVLTVFM-NRSAASCUSA-N
MW173.24 g/mol
LogP1.65
Rot. Bonds3

About N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide

N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide (PubChem CID 165036392) has the molecular formula C9H11NO2 and a molecular weight of 173.24 g/mol. Its IUPAC name is N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide
PubChem CID165036392
Molecular FormulaC9H11NO2
Molecular Weight173.24 g/mol
Exact Mass173.13
IUPAC NameN,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide
SMILES[2H]c1c([2H])c(N([2H])C(=O)C([2H])([2H])[2H])c([2H])c([2H])c1OC
InChIInChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)/i1D3,3D,4D,5D,6D/hD
InChIKeyXVAIDCNLVLTVFM-NRSAASCUSA-N
XLogP1.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
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,2,2,2-tetradeuterio-N-[2-(2,3,4,5,6,8-hexadeuterio-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 25176372
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
2-amino-N-(4-methoxyphenyl)-2-methylpropanamide;hydrochloride
CID 56832266

Frequently Asked Questions

What is the IUPAC name of N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide?
The IUPAC name of N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide (CID 165036392) is N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide.
What is the SMILES notation for N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide?
The canonical SMILES for N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide is [2H]c1c([2H])c(N([2H])C(=O)C([2H])([2H])[2H])c([2H])c([2H])c1OC.
What is the InChIKey of N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide?
The InChIKey is XVAIDCNLVLTVFM-NRSAASCUSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)/i1D3,3D,4D,5D,6D/hD.
What are the key properties of N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide?
N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide has a molecular weight of 173.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide is sourced from PubChem (CID 165036392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).