2-[3-[[4-anilino-6-[3-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]phenoxy]ethyl prop-2-enoate

C28H28N6O5 — CID 155065667

IUPAC2-[3-[[4-anilino-6-[3-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(OCCO)c3)n2)c1
InChIInChI=1S/C28H28N6O5/c1-2-25(36)39-17-16-38-24-13-7-11-22(19-24)31-28-33-26(29-20-8-4-3-5-9-20)32-27(34-28)30-21-10-6-12-23(18-21)37-15-14-35/h2-13,18-19,35H,1,14-17H2,(H3,29,30,31,32,33,34)
InChIKeyYNXVKZLCCBNVIR-UHFFFAOYSA-N
MW528.57 g/mol
LogP4.58
Rot. Bonds14

About 2-[3-[[4-anilino-6-[3-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]phenoxy]ethyl prop-2-enoate

2-[3-[[4-anilino-6-[3-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]phenoxy]ethyl prop-2-enoate (PubChem CID 155065667) has the molecular formula C28H28N6O5 and a molecular weight of 528.57 g/mol. Its IUPAC name is 2-[3-[[4-anilino-6-[3-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]phenoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[3-[[4-anilino-6-[3-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]phenoxy]ethyl prop-2-enoate
PubChem CID155065667
Molecular FormulaC28H28N6O5
Molecular Weight528.57 g/mol
Exact Mass528.21
IUPAC Name2-[3-[[4-anilino-6-[3-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]phenoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(OCCO)c3)n2)c1
InChIInChI=1S/C28H28N6O5/c1-2-25(36)39-17-16-38-24-13-7-11-22(19-24)31-28-33-26(29-20-8-4-3-5-9-20)32-27(34-28)30-21-10-6-12-23(18-21)37-15-14-35/h2-13,18-19,35H,1,14-17H2,(H3,29,30,31,32,33,34)
InChIKeyYNXVKZLCCBNVIR-UHFFFAOYSA-N
XLogP4.58
TPSA139.75 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.57
LogP ≤ 54.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-[3-[[4-anilino-6-[3-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]phenoxy]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-[[4,6-bis[3-(2-prop-2-enoyloxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate
CID 155065581
2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586
2-(3-hydroxyphenoxy)ethyl prop-2-enoate
CID 57126182
methyl prop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 174741391
[4-[[4-anilino-6-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]anilino]-1,3,5-triazin-2-yl]amino]phenyl] prop-2-enoate
CID 155065684
2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate
CID 118333634
2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate
CID 70425725
methane;2-(4-phenylphenoxy)ethyl prop-2-enoate
CID 159356060
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate
CID 160842245
3-(2-methoxyethoxy)-N-phenylaniline
CID 156904975
2-pyridin-3-yloxyethyl prop-2-enoate
CID 59502785
N-[3-(3-hydroxypropoxy)phenyl]prop-2-enamide
CID 89411116

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-anilino-6-[3-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]phenoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[3-[[4-anilino-6-[3-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]phenoxy]ethyl prop-2-enoate (CID 155065667) is 2-[3-[[4-anilino-6-[3-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]phenoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[3-[[4-anilino-6-[3-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]phenoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[3-[[4-anilino-6-[3-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]phenoxy]ethyl prop-2-enoate is C=CC(=O)OCCOc1cccc(Nc2nc(Nc3ccccc3)nc(Nc3cccc(OCCO)c3)n2)c1.
What is the InChIKey of 2-[3-[[4-anilino-6-[3-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]phenoxy]ethyl prop-2-enoate?
The InChIKey is YNXVKZLCCBNVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O5/c1-2-25(36)39-17-16-38-24-13-7-11-22(19-24)31-28-33-26(29-20-8-4-3-5-9-20)32-27(34-28)30-21-10-6-12-23(18-21)37-15-14-35/h2-13,18-19,35H,1,14-17H2,(H3,29,30,31,32,33,34).
What are the key properties of 2-[3-[[4-anilino-6-[3-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]phenoxy]ethyl prop-2-enoate?
2-[3-[[4-anilino-6-[3-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]phenoxy]ethyl prop-2-enoate has a molecular weight of 528.57 g/mol, XLogP of 4.58, 14 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-anilino-6-[3-(2-hydroxyethoxy)anilino]-1,3,5-triazin-2-yl]amino]phenoxy]ethyl prop-2-enoate is sourced from PubChem (CID 155065667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).