N-[2,6-bis(trideuteriomethyl)phenyl]-2,2-dideuterio-2-[4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide

C24H33N3O4 — CID 59864559

IUPACN-[2,6-bis(trideuteriomethyl)phenyl]-2,2-dideuterio-2-[4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
SMILES[2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1NC(=O)C([2H])([2H])N1CCN(C([2H])([2H])C([2H])(O)C([2H])([2H])Oc2ccccc2OC)CC1
InChIInChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)/i1D3,2D3,15D2,16D2,17D2,20D
InChIKeyXKLMZUWKNUAPSZ-MBUBYUDXSA-N
MW440.62 g/mol
LogP2.31
Rot. Bonds11

About N-[2,6-bis(trideuteriomethyl)phenyl]-2,2-dideuterio-2-[4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide

N-[2,6-bis(trideuteriomethyl)phenyl]-2,2-dideuterio-2-[4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide (PubChem CID 59864559) has the molecular formula C24H33N3O4 and a molecular weight of 440.62 g/mol. Its IUPAC name is N-[2,6-bis(trideuteriomethyl)phenyl]-2,2-dideuterio-2-[4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2,6-bis(trideuteriomethyl)phenyl]-2,2-dideuterio-2-[4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
PubChem CID59864559
Molecular FormulaC24H33N3O4
Molecular Weight440.62 g/mol
Exact Mass440.33
IUPAC NameN-[2,6-bis(trideuteriomethyl)phenyl]-2,2-dideuterio-2-[4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
SMILES[2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1NC(=O)C([2H])([2H])N1CCN(C([2H])([2H])C([2H])(O)C([2H])([2H])Oc2ccccc2OC)CC1
InChIInChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)/i1D3,2D3,15D2,16D2,17D2,20D
InChIKeyXKLMZUWKNUAPSZ-MBUBYUDXSA-N
XLogP2.31
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.62
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2,6-bis(trideuteriomethyl)phenyl]-2,2-dideuterio-2-[4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide with MolForge

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Related Compounds

N-[2,6-bis(trideuteriomethyl)phenyl]-2,2-dideuterio-2-[4-[2,3,3-trideuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 25157151
N-[2,6-bis(trideuteriomethyl)phenyl]-2-[4-[1,1,2-trideuterio-2-hydroxy-3-[2-(trideuteriomethoxy)phenoxy]propyl]piperazin-1-yl]acetamide
CID 59864557
N-(2,6-dimethylphenyl)-2-[4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-hydroxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 71315746
2,2-dideuterio-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-N-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]acetamide
CID 25160695
N-(2,6-dimethylphenyl)-2-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-[2-(trideuteriomethoxy)phenoxy]propyl]piperazin-1-yl]acetamide
CID 25161201
N-(3,4,5-trideuterio-2,6-dimethylphenyl)-2-[4-[2,3,3-trideuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 25160499
N-(3,4,5-trideuterio-2,6-dimethylphenyl)-2-[4-[2,3,3-trideuterio-2-hydroxy-3-[2-(trideuteriomethoxy)phenoxy]propyl]piperazin-1-yl]acetamide
CID 25160502
2-[4-[3,3-dideuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-N-(3,4,5-trideuterio-2,6-dimethylphenyl)acetamide
CID 25161205
2-[4-[1,1-dideuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-N-(3,4,5-trideuterio-2,6-dimethylphenyl)acetamide
CID 25160759
bis(3-[2,6-bis(trideuteriomethyl)phenyl]-1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-3-(2,6-dimethylphenyl)-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-(3,4,5-trideuterio-2,6-dimethylphenyl)propan-2-one)
CID 159630867
1,1,2,3,3-pentadeuterio-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol
CID 131709095
1,1,2,3,3-pentadeuterio-1-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-3-[2-(trideuteriomethoxy)phenoxy]propan-2-ol
CID 58326089

Frequently Asked Questions

What is the IUPAC name of N-[2,6-bis(trideuteriomethyl)phenyl]-2,2-dideuterio-2-[4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[2,6-bis(trideuteriomethyl)phenyl]-2,2-dideuterio-2-[4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide (CID 59864559) is N-[2,6-bis(trideuteriomethyl)phenyl]-2,2-dideuterio-2-[4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2,6-bis(trideuteriomethyl)phenyl]-2,2-dideuterio-2-[4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[2,6-bis(trideuteriomethyl)phenyl]-2,2-dideuterio-2-[4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide is [2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1NC(=O)C([2H])([2H])N1CCN(C([2H])([2H])C([2H])(O)C([2H])([2H])Oc2ccccc2OC)CC1.
What is the InChIKey of N-[2,6-bis(trideuteriomethyl)phenyl]-2,2-dideuterio-2-[4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide?
The InChIKey is XKLMZUWKNUAPSZ-MBUBYUDXSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)/i1D3,2D3,15D2,16D2,17D2,20D.
What are the key properties of N-[2,6-bis(trideuteriomethyl)phenyl]-2,2-dideuterio-2-[4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide?
N-[2,6-bis(trideuteriomethyl)phenyl]-2,2-dideuterio-2-[4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide has a molecular weight of 440.62 g/mol, XLogP of 2.31, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-bis(trideuteriomethyl)phenyl]-2,2-dideuterio-2-[4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 59864559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).