N-(2,3-dideuterio-4-methoxyphenyl)acetamide

C9H11NO2 — CID 167581919

IUPACN-(2,3-dideuterio-4-methoxyphenyl)acetamide
SMILES[2H]c1c(NC(C)=O)ccc(OC)c1[2H]
InChIInChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)/i3D,5D
InChIKeyXVAIDCNLVLTVFM-XBTCESIDSA-N
MW167.20 g/mol
LogP1.65
Rot. Bonds2

About N-(2,3-dideuterio-4-methoxyphenyl)acetamide

N-(2,3-dideuterio-4-methoxyphenyl)acetamide (PubChem CID 167581919) has the molecular formula C9H11NO2 and a molecular weight of 167.20 g/mol. Its IUPAC name is N-(2,3-dideuterio-4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dideuterio-4-methoxyphenyl)acetamide
PubChem CID167581919
Molecular FormulaC9H11NO2
Molecular Weight167.20 g/mol
Exact Mass167.09
IUPAC NameN-(2,3-dideuterio-4-methoxyphenyl)acetamide
SMILES[2H]c1c(NC(C)=O)ccc(OC)c1[2H]
InChIInChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)/i3D,5D
InChIKeyXVAIDCNLVLTVFM-XBTCESIDSA-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 ≤ 500167.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-deuterio-4-methoxyphenyl)acetamide
CID 165008373
N-(3,5-dideuterio-4-methoxyphenyl)acetamide
CID 167581920
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
N-(2,3,4,6-tetradeuterio-5-methoxyphenyl)acetamide
CID 162641860
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
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-(4-methoxyphenoxy)ethyl 4-acetamidobenzoate
CID 7654087
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dideuterio-4-methoxyphenyl)acetamide?
The IUPAC name of N-(2,3-dideuterio-4-methoxyphenyl)acetamide (CID 167581919) is N-(2,3-dideuterio-4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2,3-dideuterio-4-methoxyphenyl)acetamide?
The canonical SMILES for N-(2,3-dideuterio-4-methoxyphenyl)acetamide is [2H]c1c(NC(C)=O)ccc(OC)c1[2H].
What is the InChIKey of N-(2,3-dideuterio-4-methoxyphenyl)acetamide?
The InChIKey is XVAIDCNLVLTVFM-XBTCESIDSA-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)/i3D,5D.
What are the key properties of N-(2,3-dideuterio-4-methoxyphenyl)acetamide?
N-(2,3-dideuterio-4-methoxyphenyl)acetamide has a molecular weight of 167.20 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-dideuterio-4-methoxyphenyl)acetamide is sourced from PubChem (CID 167581919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).