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

C18H25ClN6O4 — CID 2268297

IUPAC2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
SMILESCON(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2C)nc(N(C)C)n1
InChIInChI=1S/C18H25ClN6O4/c1-12-10-13(19)6-7-14(12)29-11-15(26)20-8-9-28-18-22-16(24(2)3)21-17(23-18)25(4)27-5/h6-7,10H,8-9,11H2,1-5H3,(H,20,26)
InChIKeyJTWKFMAKKVDUKY-UHFFFAOYSA-N
MW424.89 g/mol
LogP1.47
Rot. Bonds10

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

2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]ethyl]acetamide (PubChem CID 2268297) has the molecular formula C18H25ClN6O4 and a molecular weight of 424.89 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
PubChem CID2268297
Molecular FormulaC18H25ClN6O4
Molecular Weight424.89 g/mol
Exact Mass424.16
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
SMILESCON(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2C)nc(N(C)C)n1
InChIInChI=1S/C18H25ClN6O4/c1-12-10-13(19)6-7-14(12)29-11-15(26)20-8-9-28-18-22-16(24(2)3)21-17(23-18)25(4)27-5/h6-7,10H,8-9,11H2,1-5H3,(H,20,26)
InChIKeyJTWKFMAKKVDUKY-UHFFFAOYSA-N
XLogP1.47
TPSA101.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]ethyl]acetamide (CID 2268297) is 2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-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-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]ethyl]acetamide is CON(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2C)nc(N(C)C)n1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The InChIKey is JTWKFMAKKVDUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN6O4/c1-12-10-13(19)6-7-14(12)29-11-15(26)20-8-9-28-18-22-16(24(2)3)21-17(23-18)25(4)27-5/h6-7,10H,8-9,11H2,1-5H3,(H,20,26).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[2-[[4-(dimethylamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]ethyl]acetamide has a molecular weight of 424.89 g/mol, XLogP of 1.47, 10 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-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]oxy]ethyl]acetamide is sourced from PubChem (CID 2268297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).