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

C9H11NO2 — CID 162641860

IUPACN-(2,3,4,6-tetradeuterio-5-methoxyphenyl)acetamide
SMILES[2H]c1c([2H])c(NC(C)=O)c([2H])c(OC)c1[2H]
InChIInChI=1S/C9H11NO2/c1-7(11)10-8-4-3-5-9(6-8)12-2/h3-6H,1-2H3,(H,10,11)/i3D,4D,5D,6D
InChIKeyOIEFZHJNURGFFI-LNFUJOGGSA-N
MW169.22 g/mol
LogP1.65
Rot. Bonds2

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

N-(2,3,4,6-tetradeuterio-5-methoxyphenyl)acetamide (PubChem CID 162641860) has the molecular formula C9H11NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(2,3,4,6-tetradeuterio-5-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2,3,4,6-tetradeuterio-5-methoxyphenyl)acetamide
PubChem CID162641860
Molecular FormulaC9H11NO2
Molecular Weight169.22 g/mol
Exact Mass169.10
IUPAC NameN-(2,3,4,6-tetradeuterio-5-methoxyphenyl)acetamide
SMILES[2H]c1c([2H])c(NC(C)=O)c([2H])c(OC)c1[2H]
InChIInChI=1S/C9H11NO2/c1-7(11)10-8-4-3-5-9(6-8)12-2/h3-6H,1-2H3,(H,10,11)/i3D,4D,5D,6D
InChIKeyOIEFZHJNURGFFI-LNFUJOGGSA-N
XLogP1.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dideuterio-4-methoxyphenyl)acetamide
CID 167581920
N-(3-deuterio-4-methoxyphenyl)acetamide
CID 165008373
N-(2,3-dideuterio-4-methoxyphenyl)acetamide
CID 167581919
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
N,2,2,2-tetradeuterio-N-(2,3,5,6-tetradeuterio-4-methoxyphenyl)acetamide
CID 165036392
N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108869362
2-deuterio-4-methoxy-N-phenylbenzamide
CID 141045741
3-acetamido-5-methoxybenzenesulfinic acid
CID 101304035
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,6-tetradeuterio-5-methoxyphenyl)acetamide?
The IUPAC name of N-(2,3,4,6-tetradeuterio-5-methoxyphenyl)acetamide (CID 162641860) is N-(2,3,4,6-tetradeuterio-5-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2,3,4,6-tetradeuterio-5-methoxyphenyl)acetamide?
The canonical SMILES for N-(2,3,4,6-tetradeuterio-5-methoxyphenyl)acetamide is [2H]c1c([2H])c(NC(C)=O)c([2H])c(OC)c1[2H].
What is the InChIKey of N-(2,3,4,6-tetradeuterio-5-methoxyphenyl)acetamide?
The InChIKey is OIEFZHJNURGFFI-LNFUJOGGSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7(11)10-8-4-3-5-9(6-8)12-2/h3-6H,1-2H3,(H,10,11)/i3D,4D,5D,6D.
What are the key properties of N-(2,3,4,6-tetradeuterio-5-methoxyphenyl)acetamide?
N-(2,3,4,6-tetradeuterio-5-methoxyphenyl)acetamide has a molecular weight of 169.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,6-tetradeuterio-5-methoxyphenyl)acetamide is sourced from PubChem (CID 162641860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).