(2E)-2-[[4-[2-[2-[[4-[(E)-(2-amino-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethoxy]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]acetamide

C32H54N16O3 — CID 20526093

IUPAC(2E)-2-[[4-[2-[2-[[4-[(E)-(2-amino-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethoxy]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]acetamide
SMILESCC1(C)CC(Nc2nc(/N=C/C(N)=O)nc(NCCOCCNc3nc(/N=C/C(N)=O)nc(NC4CC(C)(C)NC(C)(C)C4)n3)n2)CC(C)(C)N1
InChIInChI=1S/C32H54N16O3/c1-29(2)13-19(14-30(3,4)47-29)39-27-43-23(41-25(45-27)37-17-21(33)49)35-9-11-51-12-10-36-24-42-26(38-18-22(34)50)46-28(44-24)40-20-15-31(5,6)48-32(7,8)16-20/h17-20,47-48H,9-16H2,1-8H3,(H2,33,49)(H2,34,50)(H2,35,39,41,43,45)(H2,36,40,42,44,46)/b37-17+,38-18+
InChIKeyOIBMSNVIBCRTLM-PBUAHAPGSA-N
MW710.89 g/mol
LogP1.41
Rot. Bonds16

About (2E)-2-[[4-[2-[2-[[4-[(E)-(2-amino-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethoxy]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]acetamide

(2E)-2-[[4-[2-[2-[[4-[(E)-(2-amino-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethoxy]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]acetamide (PubChem CID 20526093) has the molecular formula C32H54N16O3 and a molecular weight of 710.89 g/mol. Its IUPAC name is (2E)-2-[[4-[2-[2-[[4-[(E)-(2-amino-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethoxy]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]acetamide.

Molecular Properties

Compound Name(2E)-2-[[4-[2-[2-[[4-[(E)-(2-amino-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethoxy]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]acetamide
PubChem CID20526093
Molecular FormulaC32H54N16O3
Molecular Weight710.89 g/mol
Exact Mass710.46
IUPAC Name(2E)-2-[[4-[2-[2-[[4-[(E)-(2-amino-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethoxy]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]acetamide
SMILESCC1(C)CC(Nc2nc(/N=C/C(N)=O)nc(NCCOCCNc3nc(/N=C/C(N)=O)nc(NC4CC(C)(C)NC(C)(C)C4)n3)n2)CC(C)(C)N1
InChIInChI=1S/C32H54N16O3/c1-29(2)13-19(14-30(3,4)47-29)39-27-43-23(41-25(45-27)37-17-21(33)49)35-9-11-51-12-10-36-24-42-26(38-18-22(34)50)46-28(44-24)40-20-15-31(5,6)48-32(7,8)16-20/h17-20,47-48H,9-16H2,1-8H3,(H2,33,49)(H2,34,50)(H2,35,39,41,43,45)(H2,36,40,42,44,46)/b37-17+,38-18+
InChIKeyOIBMSNVIBCRTLM-PBUAHAPGSA-N
XLogP1.41
TPSA269.65 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500710.89
LogP ≤ 51.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2E)-2-[[4-[2-[2-[[4-[(E)-(2-amino-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethoxy]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]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 (2E)-2-[[4-[2-[2-[[4-[(E)-(2-amino-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethoxy]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]acetamide?
The IUPAC name of (2E)-2-[[4-[2-[2-[[4-[(E)-(2-amino-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethoxy]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]acetamide (CID 20526093) is (2E)-2-[[4-[2-[2-[[4-[(E)-(2-amino-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethoxy]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]acetamide.
What is the SMILES notation for (2E)-2-[[4-[2-[2-[[4-[(E)-(2-amino-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethoxy]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]acetamide?
The canonical SMILES for (2E)-2-[[4-[2-[2-[[4-[(E)-(2-amino-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethoxy]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]acetamide is CC1(C)CC(Nc2nc(/N=C/C(N)=O)nc(NCCOCCNc3nc(/N=C/C(N)=O)nc(NC4CC(C)(C)NC(C)(C)C4)n3)n2)CC(C)(C)N1.
What is the InChIKey of (2E)-2-[[4-[2-[2-[[4-[(E)-(2-amino-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethoxy]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]acetamide?
The InChIKey is OIBMSNVIBCRTLM-PBUAHAPGSA-N. The full InChI is InChI=1S/C32H54N16O3/c1-29(2)13-19(14-30(3,4)47-29)39-27-43-23(41-25(45-27)37-17-21(33)49)35-9-11-51-12-10-36-24-42-26(38-18-22(34)50)46-28(44-24)40-20-15-31(5,6)48-32(7,8)16-20/h17-20,47-48H,9-16H2,1-8H3,(H2,33,49)(H2,34,50)(H2,35,39,41,43,45)(H2,36,40,42,44,46)/b37-17+,38-18+.
What are the key properties of (2E)-2-[[4-[2-[2-[[4-[(E)-(2-amino-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethoxy]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]acetamide?
(2E)-2-[[4-[2-[2-[[4-[(E)-(2-amino-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethoxy]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]acetamide has a molecular weight of 710.89 g/mol, XLogP of 1.41, 16 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[4-[2-[2-[[4-[(E)-(2-amino-2-oxoethylidene)amino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]ethoxy]ethylamino]-6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]imino]acetamide is sourced from PubChem (CID 20526093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).