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

C17H23ClN6O3 — CID 3149158

IUPACN-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2-chlorophenoxy)acetamide
SMILESCN(C)c1nc(OCCNC(=O)COc2ccccc2Cl)nc(N(C)C)n1
InChIInChI=1S/C17H23ClN6O3/c1-23(2)15-20-16(24(3)4)22-17(21-15)26-10-9-19-14(25)11-27-13-8-6-5-7-12(13)18/h5-8H,9-11H2,1-4H3,(H,19,25)
InChIKeyNKUXAWHMHIKCBR-UHFFFAOYSA-N
MW394.86 g/mol
LogP1.23
Rot. Bonds9

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

N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2-chlorophenoxy)acetamide (PubChem CID 3149158) has the molecular formula C17H23ClN6O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2-chlorophenoxy)acetamide
PubChem CID3149158
Molecular FormulaC17H23ClN6O3
Molecular Weight394.86 g/mol
Exact Mass394.15
IUPAC NameN-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2-chlorophenoxy)acetamide
SMILESCN(C)c1nc(OCCNC(=O)COc2ccccc2Cl)nc(N(C)C)n1
InChIInChI=1S/C17H23ClN6O3/c1-23(2)15-20-16(24(3)4)22-17(21-15)26-10-9-19-14(25)11-27-13-8-6-5-7-12(13)18/h5-8H,9-11H2,1-4H3,(H,19,25)
InChIKeyNKUXAWHMHIKCBR-UHFFFAOYSA-N
XLogP1.23
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 51.23
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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Related Compounds

[2-(2,4-Dichlorophenoxy)ethyl][4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl]cyanamide
CID 1116954
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-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl}oxy)ethyl]acetamide
CID 2268297
(4,6-Bis-isopropylamino-[1,3,5]triazin-2-yl)-[2-(2,4-dichloro-phenoxy)-ethyl]-cyanamide
CID 1116953
2-{[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]oxy}ethyl (2,4-dichlorophenoxy)acetate
CID 1893751
N-[2-(4,6-Bis-dimethylamino-[1,3,5]triazin-2-yloxy)-ethyl]-2-(2,4-dichloro-phenoxy)-acetamide
CID 3138601
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-(2,4-Dichlorophenoxy)-N-(2-{[4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-YL]oxy}ethyl)acetamide
CID 1948111
N-[2-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 1948289
N-(2-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1958395
N-(2-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 1893516

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-chlorophenoxy)acetamide?
The IUPAC name of N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2-chlorophenoxy)acetamide (CID 3149158) is N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2-chlorophenoxy)acetamide is CN(C)c1nc(OCCNC(=O)COc2ccccc2Cl)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-chlorophenoxy)acetamide?
The InChIKey is NKUXAWHMHIKCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN6O3/c1-23(2)15-20-16(24(3)4)22-17(21-15)26-10-9-19-14(25)11-27-13-8-6-5-7-12(13)18/h5-8H,9-11H2,1-4H3,(H,19,25).
What are the key properties of N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2-chlorophenoxy)acetamide?
N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]-2-(2-chlorophenoxy)acetamide has a molecular weight of 394.86 g/mol, XLogP of 1.23, 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-chlorophenoxy)acetamide is sourced from PubChem (CID 3149158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).