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

C20H27ClN6O4 — CID 23607175

IUPAC2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCCOc1nc(N(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C20H27ClN6O4/c1-14-12-15(21)4-5-16(14)31-13-17(28)22-6-9-30-20-24-18(26(2)3)23-19(25-20)27-7-10-29-11-8-27/h4-5,12H,6-11,13H2,1-3H3,(H,22,28)
InChIKeyAFGYXCMMGLXBRT-UHFFFAOYSA-N
MW450.93 g/mol
LogP1.31
Rot. Bonds9

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

2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide (PubChem CID 23607175) has the molecular formula C20H27ClN6O4 and a molecular weight of 450.93 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
PubChem CID23607175
Molecular FormulaC20H27ClN6O4
Molecular Weight450.93 g/mol
Exact Mass450.18
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCCOc1nc(N(C)C)nc(N2CCOCC2)n1
InChIInChI=1S/C20H27ClN6O4/c1-14-12-15(21)4-5-16(14)31-13-17(28)22-6-9-30-20-24-18(26(2)3)23-19(25-20)27-7-10-29-11-8-27/h4-5,12H,6-11,13H2,1-3H3,(H,22,28)
InChIKeyAFGYXCMMGLXBRT-UHFFFAOYSA-N
XLogP1.31
TPSA101.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 51.31
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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Related Compounds

2-(2,4-dichlorophenoxy)-N-(2-{[4-(dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy}ethyl)acetamide
CID 2187408
2-(2,4-dichlorophenoxy)-N-(2-{[4-(dimethylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy}ethyl)acetamide
CID 2188965
2-(4-chloro-2-methylphenoxy)-N-{2-[(4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)oxy]ethyl}acetamide
CID 2938997
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-[(4-Chloro-2-methylphenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155558408
2-(4-chloro-2-methylphenoxy)-N-[2-({4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl}oxy)ethyl]acetamide
CID 2268297
2-(4-chloro-2-methylphenoxy)-N-(2-{[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}ethyl)acetamide
CID 1912603
N-(2-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1958395
2-(4-chloro-2-methylphenoxy)-N-(4,6-diamino-1,3,5-triazin-2-yl)acetamide
CID 295477
N-(2-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 1893516
2-(4-chlorophenoxy)-N-((4-methoxy-6-morpholino-1,3,5-triazin-2-yl)methyl)acetamide
CID 119099636
N-[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 6492122

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide (CID 23607175) is 2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)NCCOc1nc(N(C)C)nc(N2CCOCC2)n1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The InChIKey is AFGYXCMMGLXBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN6O4/c1-14-12-15(21)4-5-16(14)31-13-17(28)22-6-9-30-20-24-18(26(2)3)23-19(25-20)27-7-10-29-11-8-27/h4-5,12H,6-11,13H2,1-3H3,(H,22,28).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide has a molecular weight of 450.93 g/mol, XLogP of 1.31, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethyl]acetamide is sourced from PubChem (CID 23607175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).