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

C22H29ClN6O5 — CID 2938997

IUPAC2-(4-chloro-2-methylphenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCCOc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H29ClN6O5/c1-16-14-17(23)2-3-18(16)34-15-19(30)24-4-9-33-22-26-20(28-5-10-31-11-6-28)25-21(27-22)29-7-12-32-13-8-29/h2-3,14H,4-13,15H2,1H3,(H,24,30)
InChIKeyWYNRIDVQASCWQW-UHFFFAOYSA-N
MW492.96 g/mol
LogP1.08
Rot. Bonds9

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

2-(4-chloro-2-methylphenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide (PubChem CID 2938997) has the molecular formula C22H29ClN6O5 and a molecular weight of 492.96 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide
PubChem CID2938997
Molecular FormulaC22H29ClN6O5
Molecular Weight492.96 g/mol
Exact Mass492.19
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCCOc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H29ClN6O5/c1-16-14-17(23)2-3-18(16)34-15-19(30)24-4-9-33-22-26-20(28-5-10-31-11-6-28)25-21(27-22)29-7-12-32-13-8-29/h2-3,14H,4-13,15H2,1H3,(H,24,30)
InChIKeyWYNRIDVQASCWQW-UHFFFAOYSA-N
XLogP1.08
TPSA111.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.96
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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-(4-chloro-2-methylphenoxy)-N-(2-{[4-(4-morpholinyl)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy}ethyl)acetamide
CID 2979259
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-cyclohexylphenoxy)-4,6-di-4-morpholinyl-1,3,5-triazine
CID 2947090
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-(4-chloro-2-methylphenoxy)-N-(2-{[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy}ethyl)acetamide
CID 1912603
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
2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetyl]amino]-3-hydroxybutyl]acetamide
CID 138632807
2-(4-chloro-3-fluorophenoxy)-N-[1-[(2S)-3-[[2-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy]acetyl]amino]-2-hydroxypropyl]cyclohexyl]acetamide
CID 155302801
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-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide (CID 2938997) is 2-(4-chloro-2-methylphenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)NCCOc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
The InChIKey is WYNRIDVQASCWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN6O5/c1-16-14-17(23)2-3-18(16)34-15-19(30)24-4-9-33-22-26-20(28-5-10-31-11-6-28)25-21(27-22)29-7-12-32-13-8-29/h2-3,14H,4-13,15H2,1H3,(H,24,30).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide has a molecular weight of 492.96 g/mol, XLogP of 1.08, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]ethyl]acetamide is sourced from PubChem (CID 2938997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).