N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide

C25H35N3O3 — CID 71044231

IUPACN-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide
SMILESCOc1ccccc1OCC(C)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C25H35N3O3/c1-19(18-31-23-11-6-5-10-22(23)30-4)16-27-12-14-28(15-13-27)17-24(29)26-25-20(2)8-7-9-21(25)3/h5-11,19H,12-18H2,1-4H3,(H,26,29)
InChIKeyMIJRMJTXUYJSMM-UHFFFAOYSA-N
MW425.57 g/mol
LogP3.58
Rot. Bonds9

About N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide (PubChem CID 71044231) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide
PubChem CID71044231
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide
SMILESCOc1ccccc1OCC(C)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C25H35N3O3/c1-19(18-31-23-11-6-5-10-22(23)30-4)16-27-12-14-28(15-13-27)17-24(29)26-25-20(2)8-7-9-21(25)3/h5-11,19H,12-18H2,1-4H3,(H,26,29)
InChIKeyMIJRMJTXUYJSMM-UHFFFAOYSA-N
XLogP3.58
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-dimethylphenyl)-2-[4-[2-hydroxy-3-[2-(trideuteriomethoxy)phenoxy]propyl]piperazin-1-yl]acetamide
CID 25160824
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-(2,3,4,5-tetradeuterio-6-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 25227266
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperazin-1-yl]acetamide;molecular hydrogen
CID 162137892
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
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
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-(2,4-dimethylphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 102488561
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-[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-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide
CID 45281353

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide (CID 71044231) is N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide is COc1ccccc1OCC(C)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide?
The InChIKey is MIJRMJTXUYJSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-19(18-31-23-11-6-5-10-22(23)30-4)16-27-12-14-28(15-13-27)17-24(29)26-25-20(2)8-7-9-21(25)3/h5-11,19H,12-18H2,1-4H3,(H,26,29).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide has a molecular weight of 425.57 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 71044231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).