2-[[2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]acetyl]-methylamino]ethyl prop-2-enoate

C33H34N4O5 — CID 135708091

IUPAC2-[[2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]acetyl]-methylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(C)C(=O)COc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1
InChIInChI=1S/C33H34N4O5/c1-7-30(40)41-15-14-37(6)29(39)19-42-24-10-13-27(28(38)18-24)33-35-31(25-11-8-20(2)16-22(25)4)34-32(36-33)26-12-9-21(3)17-23(26)5/h7-13,16-18,38H,1,14-15,19H2,2-6H3
InChIKeyRTCPLYIOYMIFFD-UHFFFAOYSA-N
MW566.66 g/mol
LogP5.38
Rot. Bonds10

About 2-[[2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]acetyl]-methylamino]ethyl prop-2-enoate

2-[[2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]acetyl]-methylamino]ethyl prop-2-enoate (PubChem CID 135708091) has the molecular formula C33H34N4O5 and a molecular weight of 566.66 g/mol. Its IUPAC name is 2-[[2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]acetyl]-methylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[[2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]acetyl]-methylamino]ethyl prop-2-enoate
PubChem CID135708091
Molecular FormulaC33H34N4O5
Molecular Weight566.66 g/mol
Exact Mass566.25
IUPAC Name2-[[2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]acetyl]-methylamino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(C)C(=O)COc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1
InChIInChI=1S/C33H34N4O5/c1-7-30(40)41-15-14-37(6)29(39)19-42-24-10-13-27(28(38)18-24)33-35-31(25-11-8-20(2)16-22(25)4)34-32(36-33)26-12-9-21(3)17-23(26)5/h7-13,16-18,38H,1,14-15,19H2,2-6H3
InChIKeyRTCPLYIOYMIFFD-UHFFFAOYSA-N
XLogP5.38
TPSA114.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.66
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[[2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]acetyl]-methylamino]ethyl prop-2-enoate with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]-N-(2-hydroxyethyl)-N-methylacetamide
CID 135708096
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-ethoxyphenol;prop-2-en-1-one;uranium(2+)
CID 163627714
[4-[4-(4-chlorophenyl)-6-(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenyl] prop-2-enoate
CID 146706873
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
CID 161357419
methane;2-methoxyethyl 2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate
CID 158424469
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
octyl 2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]propanoate
CID 163385500
2-(2,4-dimethylphenoxy)ethyl prop-2-enoate
CID 58160672
bis(2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(3-butoxy-2-hydroxypropoxy)phenol);methane
CID 160511620
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(2,4,4-trimethylpentan-2-yloxy)phenol
CID 169098756

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]acetyl]-methylamino]ethyl prop-2-enoate?
The IUPAC name of 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) is 2-[[2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]acetyl]-methylamino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[[2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]acetyl]-methylamino]ethyl prop-2-enoate?
The canonical SMILES for 2-[[2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]acetyl]-methylamino]ethyl prop-2-enoate is C=CC(=O)OCCN(C)C(=O)COc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1.
What is the InChIKey of 2-[[2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]acetyl]-methylamino]ethyl prop-2-enoate?
The InChIKey is RTCPLYIOYMIFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O5/c1-7-30(40)41-15-14-37(6)29(39)19-42-24-10-13-27(28(38)18-24)33-35-31(25-11-8-20(2)16-22(25)4)34-32(36-33)26-12-9-21(3)17-23(26)5/h7-13,16-18,38H,1,14-15,19H2,2-6H3.
What are the key properties of 2-[[2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]acetyl]-methylamino]ethyl prop-2-enoate?
2-[[2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]acetyl]-methylamino]ethyl prop-2-enoate has a molecular weight of 566.66 g/mol, XLogP of 5.38, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-hydroxyphenoxy]acetyl]-methylamino]ethyl prop-2-enoate is sourced from PubChem (CID 135708091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).