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

C19H24Cl2N6O4 — CID 2187408

IUPAC2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
SMILESCN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C19H24Cl2N6O4/c1-26(2)17-23-18(27-6-9-29-10-7-27)25-19(24-17)30-8-5-22-16(28)12-31-15-4-3-13(20)11-14(15)21/h3-4,11H,5-10,12H2,1-2H3,(H,22,28)
InChIKeyKFAWCRAUDPPYAZ-UHFFFAOYSA-N
MW471.35 g/mol
LogP1.65
Rot. Bonds9

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

2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide (PubChem CID 2187408) has the molecular formula C19H24Cl2N6O4 and a molecular weight of 471.35 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
PubChem CID2187408
Molecular FormulaC19H24Cl2N6O4
Molecular Weight471.35 g/mol
Exact Mass470.12
IUPAC Name2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
SMILESCN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C19H24Cl2N6O4/c1-26(2)17-23-18(27-6-9-29-10-7-27)25-19(24-17)30-8-5-22-16(28)12-31-15-4-3-13(20)11-14(15)21/h3-4,11H,5-10,12H2,1-2H3,(H,22,28)
InChIKeyKFAWCRAUDPPYAZ-UHFFFAOYSA-N
XLogP1.65
TPSA101.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide (CID 2187408) is 2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-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-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide is CN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The InChIKey is KFAWCRAUDPPYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N6O4/c1-26(2)17-23-18(27-6-9-29-10-7-27)25-19(24-17)30-8-5-22-16(28)12-31-15-4-3-13(20)11-14(15)21/h3-4,11H,5-10,12H2,1-2H3,(H,22,28).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide has a molecular weight of 471.35 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide is sourced from PubChem (CID 2187408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).