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

C17H22Cl2N6O3 — CID 3138601

IUPACN-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(N(C)C)n1
InChIInChI=1S/C17H22Cl2N6O3/c1-24(2)15-21-16(25(3)4)23-17(22-15)27-8-7-20-14(26)10-28-13-6-5-11(18)9-12(13)19/h5-6,9H,7-8,10H2,1-4H3,(H,20,26)
InChIKeyOGDBRLDOZGSOLP-UHFFFAOYSA-N
MW429.31 g/mol
LogP1.88
Rot. Bonds9

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

N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 3138601) has the molecular formula C17H22Cl2N6O3 and a molecular weight of 429.31 g/mol. Its IUPAC name is N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID3138601
Molecular FormulaC17H22Cl2N6O3
Molecular Weight429.31 g/mol
Exact Mass428.11
IUPAC NameN-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(N(C)C)n1
InChIInChI=1S/C17H22Cl2N6O3/c1-24(2)15-21-16(25(3)4)23-17(22-15)27-8-7-20-14(26)10-28-13-6-5-11(18)9-12(13)19/h5-6,9H,7-8,10H2,1-4H3,(H,20,26)
InChIKeyOGDBRLDOZGSOLP-UHFFFAOYSA-N
XLogP1.88
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2,4-dichlorophenoxy)acetamide (CID 3138601) is N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2,4-dichlorophenoxy)acetamide is CN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(N(C)C)n1.
What is the InChIKey of N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is OGDBRLDOZGSOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N6O3/c1-24(2)15-21-16(25(3)4)23-17(22-15)27-8-7-20-14(26)10-28-13-6-5-11(18)9-12(13)19/h5-6,9H,7-8,10H2,1-4H3,(H,20,26).
What are the key properties of N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2,4-dichlorophenoxy)acetamide?
N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 429.31 g/mol, XLogP of 1.88, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 3138601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).