2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide

C20H26Cl2N6O3 — CID 2188965

IUPAC2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
SMILESCN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C20H26Cl2N6O3/c1-27(2)18-24-19(28-9-4-3-5-10-28)26-20(25-18)30-11-8-23-17(29)13-31-16-7-6-14(21)12-15(16)22/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,23,29)
InChIKeyWMQKVXGIPAPYSQ-UHFFFAOYSA-N
MW469.37 g/mol
LogP2.81
Rot. Bonds9

About 2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide

2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide (PubChem CID 2188965) has the molecular formula C20H26Cl2N6O3 and a molecular weight of 469.37 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
PubChem CID2188965
Molecular FormulaC20H26Cl2N6O3
Molecular Weight469.37 g/mol
Exact Mass468.14
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
SMILESCN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C20H26Cl2N6O3/c1-27(2)18-24-19(28-9-4-3-5-10-28)26-20(25-18)30-11-8-23-17(29)13-31-16-7-6-14(21)12-15(16)22/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,23,29)
InChIKeyWMQKVXGIPAPYSQ-UHFFFAOYSA-N
XLogP2.81
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,4-Dichlorophenoxy)ethyl][4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl]cyanamide
CID 1116954
2-(2,4-dichlorophenoxy)-N-(2-{[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy}ethyl)acetamide
CID 2187408
2-(4-chloro-2-methylphenoxy)-N-(2-{[4-(4-morpholinyl)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy}ethyl)acetamide
CID 2979259
(4,6-Bis-isopropylamino-[1,3,5]triazin-2-yl)-[2-(2,4-dichloro-phenoxy)-ethyl]-cyanamide
CID 1116953
2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]oxy}ethyl (2,4-dichlorophenoxy)acetate
CID 1893751
N-[2-(4,6-Bis-dimethylamino-[1,3,5]triazin-2-yloxy)-ethyl]-2-(2,4-dichloro-phenoxy)-acetamide
CID 3138601
N-(2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)-2-(2-chlorophenoxy)acetamide
CID 3149158
2-(4-chloro-2-methylphenoxy)-N-(2-{[4-(dimethylamino)-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]oxy}ethyl)acetamide
CID 23607175
2-(2,4-Dichlorophenoxy)-N-(2-{[4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-YL]oxy}ethyl)acetamide
CID 1948111
N-[2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 1948289
N-(2-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1958395
N-(2-{[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino}ethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 4642981

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide (CID 2188965) is 2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide is CN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The InChIKey is WMQKVXGIPAPYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N6O3/c1-27(2)18-24-19(28-9-4-3-5-10-28)26-20(25-18)30-11-8-23-17(29)13-31-16-7-6-14(21)12-15(16)22/h6-7,12H,3-5,8-11,13H2,1-2H3,(H,23,29).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide has a molecular weight of 469.37 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide is sourced from PubChem (CID 2188965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).