2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-N-(2-hydroxyethyl)-N-methylacetamide

C30H32N4O4 — CID 135708096

IUPAC2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(OCC(=O)N(C)CCO)cc3O)n2)c(C)c1
InChIInChI=1S/C30H32N4O4/c1-18-6-9-23(20(3)14-18)28-31-29(24-10-7-19(2)15-21(24)4)33-30(32-28)25-11-8-22(16-26(25)36)38-17-27(37)34(5)12-13-35/h6-11,14-16,35-36H,12-13,17H2,1-5H3
InChIKeyDARASPIIUQVMMN-UHFFFAOYSA-N
MW512.61 g/mol
LogP4.64
Rot. Bonds8

About 2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-N-(2-hydroxyethyl)-N-methylacetamide

2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-N-(2-hydroxyethyl)-N-methylacetamide (PubChem CID 135708096) has the molecular formula C30H32N4O4 and a molecular weight of 512.61 g/mol. Its IUPAC name is 2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-N-(2-hydroxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-N-(2-hydroxyethyl)-N-methylacetamide
PubChem CID135708096
Molecular FormulaC30H32N4O4
Molecular Weight512.61 g/mol
Exact Mass512.24
IUPAC Name2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-N-(2-hydroxyethyl)-N-methylacetamide
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(OCC(=O)N(C)CCO)cc3O)n2)c(C)c1
InChIInChI=1S/C30H32N4O4/c1-18-6-9-23(20(3)14-18)28-31-29(24-10-7-19(2)15-21(24)4)33-30(32-28)25-11-8-22(16-26(25)36)38-17-27(37)34(5)12-13-35/h6-11,14-16,35-36H,12-13,17H2,1-5H3
InChIKeyDARASPIIUQVMMN-UHFFFAOYSA-N
XLogP4.64
TPSA108.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]acetyl]-methylamino]ethyl prop-2-enoate
CID 135708091
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-propoxyphenol
CID 135736962
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-tridecoxyphenol
CID 135828198
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
CID 161357419
2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane
CID 135988448
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol;prop-2-en-1-one;uranium(2+)
CID 163627714
2-[4-(2,4-dimethylphenyl)-6-(2-hydroxy-4-methoxyphenyl)-1,3,5-triazin-2-yl]-5-methoxyphenol;ethane;methane
CID 159882082
[1-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-3-hydroxypropan-2-yl] 2-methylprop-2-enoate
CID 136948473
2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-N-(4-hydroxy-3-oxobutyl)propanamide
CID 163418739
[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-ethyl-formyl-(2-hydroxyethyl)azanium
CID 135671164
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,4,4-trimethylpentan-2-yloxy)phenol
CID 169098756
methane;2-methoxyethyl 2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate
CID 158424469

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-N-(2-hydroxyethyl)-N-methylacetamide?
The IUPAC name of 2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-N-(2-hydroxyethyl)-N-methylacetamide (CID 135708096) is 2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-N-(2-hydroxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-N-(2-hydroxyethyl)-N-methylacetamide?
The canonical SMILES for 2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-N-(2-hydroxyethyl)-N-methylacetamide is Cc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(OCC(=O)N(C)CCO)cc3O)n2)c(C)c1.
What is the InChIKey of 2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-N-(2-hydroxyethyl)-N-methylacetamide?
The InChIKey is DARASPIIUQVMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4/c1-18-6-9-23(20(3)14-18)28-31-29(24-10-7-19(2)15-21(24)4)33-30(32-28)25-11-8-22(16-26(25)36)38-17-27(37)34(5)12-13-35/h6-11,14-16,35-36H,12-13,17H2,1-5H3.
What are the key properties of 2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-N-(2-hydroxyethyl)-N-methylacetamide?
2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-N-(2-hydroxyethyl)-N-methylacetamide has a molecular weight of 512.61 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-N-(2-hydroxyethyl)-N-methylacetamide is sourced from PubChem (CID 135708096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).