2-(4-chlorophenoxy)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]acetamide

C17H20ClN5O4 — CID 119099636

IUPAC2-(4-chlorophenoxy)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]acetamide
SMILESCOc1nc(CNC(=O)COc2ccc(Cl)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H20ClN5O4/c1-25-17-21-14(20-16(22-17)23-6-8-26-9-7-23)10-19-15(24)11-27-13-4-2-12(18)3-5-13/h2-5H,6-11H2,1H3,(H,19,24)
InChIKeyRDILASYPXLZKTE-UHFFFAOYSA-N
MW393.83 g/mol
LogP1.07
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]acetamide

2-(4-chlorophenoxy)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]acetamide (PubChem CID 119099636) has the molecular formula C17H20ClN5O4 and a molecular weight of 393.83 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]acetamide
PubChem CID119099636
Molecular FormulaC17H20ClN5O4
Molecular Weight393.83 g/mol
Exact Mass393.12
IUPAC Name2-(4-chlorophenoxy)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]acetamide
SMILESCOc1nc(CNC(=O)COc2ccc(Cl)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H20ClN5O4/c1-25-17-21-14(20-16(22-17)23-6-8-26-9-7-23)10-19-15(24)11-27-13-4-2-12(18)3-5-13/h2-5H,6-11H2,1H3,(H,19,24)
InChIKeyRDILASYPXLZKTE-UHFFFAOYSA-N
XLogP1.07
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(4-chlorophenoxy)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]acetamide with MolForge

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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
4-[(2,4-Dichlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155536152
4-[(3-Chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155538814
4-[1-(3-Chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155543653
4-[(2-Chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155554036
4-[1-(3,4-Dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 164615340
4-((4-Chlorophenoxy)methyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (14)
CID 121238070
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
6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 17468087

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]acetamide (CID 119099636) is 2-(4-chlorophenoxy)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]acetamide is COc1nc(CNC(=O)COc2ccc(Cl)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]acetamide?
The InChIKey is RDILASYPXLZKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O4/c1-25-17-21-14(20-16(22-17)23-6-8-26-9-7-23)10-19-15(24)11-27-13-4-2-12(18)3-5-13/h2-5H,6-11H2,1H3,(H,19,24).
What are the key properties of 2-(4-chlorophenoxy)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]acetamide?
2-(4-chlorophenoxy)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]acetamide has a molecular weight of 393.83 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]acetamide is sourced from PubChem (CID 119099636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).