N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperazin-1-yl]acetamide

C26H37N3O6 — CID 169439064

IUPACN-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperazin-1-yl]acetamide
SMILESCOc1ccccc1CCOC[C@H](O)CN1CCN(CC(=O)Nc2c(OC)cccc2OC)CC1
InChIInChI=1S/C26H37N3O6/c1-32-22-8-5-4-7-20(22)11-16-35-19-21(30)17-28-12-14-29(15-13-28)18-25(31)27-26-23(33-2)9-6-10-24(26)34-3/h4-10,21,30H,11-19H2,1-3H3,(H,27,31)/t21-/m1/s1
InChIKeyLUCWJHHKPCYBIV-OAQYLSRUSA-N
MW487.60 g/mol
LogP1.89
Rot. Bonds13

About N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperazin-1-yl]acetamide

N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperazin-1-yl]acetamide (PubChem CID 169439064) has the molecular formula C26H37N3O6 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperazin-1-yl]acetamide
PubChem CID169439064
Molecular FormulaC26H37N3O6
Molecular Weight487.60 g/mol
Exact Mass487.27
IUPAC NameN-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperazin-1-yl]acetamide
SMILESCOc1ccccc1CCOC[C@H](O)CN1CCN(CC(=O)Nc2c(OC)cccc2OC)CC1
InChIInChI=1S/C26H37N3O6/c1-32-22-8-5-4-7-20(22)11-16-35-19-21(30)17-28-12-14-29(15-13-28)18-25(31)27-26-23(33-2)9-6-10-24(26)34-3/h4-10,21,30H,11-19H2,1-3H3,(H,27,31)/t21-/m1/s1
InChIKeyLUCWJHHKPCYBIV-OAQYLSRUSA-N
XLogP1.89
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 169439062
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperazin-1-yl]acetamide;molecular hydrogen
CID 162137892
2,3-dihydroxybutanedioic acid;N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 45280732
N-(2,6-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 1439205
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[2-(trideuteriomethoxy)phenoxy]propyl]piperazin-1-yl]acetamide
CID 25160824
N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide
CID 71044231
N-(2,4-dimethylphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 102488561
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2,3,4,5-tetradeuterio-6-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 25227266
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-4-(2-methylphenyl)butyl]piperazin-1-yl]acetamide
CID 142082035
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
3-[1-[2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperidin-4-yl]-1H-benzimidazol-2-one;oxalic acid
CID 110168486
1-(2,6-dimethylphenyl)-3-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one
CID 58160655

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperazin-1-yl]acetamide (CID 169439064) is N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperazin-1-yl]acetamide is COc1ccccc1CCOC[C@H](O)CN1CCN(CC(=O)Nc2c(OC)cccc2OC)CC1.
What is the InChIKey of N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperazin-1-yl]acetamide?
The InChIKey is LUCWJHHKPCYBIV-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H37N3O6/c1-32-22-8-5-4-7-20(22)11-16-35-19-21(30)17-28-12-14-29(15-13-28)18-25(31)27-26-23(33-2)9-6-10-24(26)34-3/h4-10,21,30H,11-19H2,1-3H3,(H,27,31)/t21-/m1/s1.
What are the key properties of N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperazin-1-yl]acetamide?
N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperazin-1-yl]acetamide has a molecular weight of 487.60 g/mol, XLogP of 1.89, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 169439064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).