2-[[[4-[bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-6-[[2-(methylamino)-2-oxoethyl]-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl 2-methylprop-2-enoate;2-[[[4-[bis(2-prop-2-enoyloxyethoxymethyl)amino]-6-[[2-(methylamino)-2-oxoethyl]-(2-prop-2-enoyloxyethoxymethyl)amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl prop-2-enoate

C70H104N16O28 — CID 158837987

About 2-[[[4-[bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-6-[[2-(methylamino)-2-oxoethyl]-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl 2-methylprop-2-enoate;2-[[[4-[bis(2-prop-2-enoyloxyethoxymethyl)amino]-6-[[2-(methylamino)-2-oxoethyl]-(2-prop-2-enoyloxyethoxymethyl)amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl prop-2-enoate

2-[[[4-[bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-6-[[2-(methylamino)-2-oxoethyl]-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl 2-methylprop-2-enoate;2-[[[4-[bis(2-prop-2-enoyloxyethoxymethyl)amino]-6-[[2-(methylamino)-2-oxoethyl]-(2-prop-2-enoyloxyethoxymethyl)amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl prop-2-enoate (PubChem CID 158837987) has the molecular formula C70H104N16O28 and a molecular weight of 1617.69 g/mol. Its IUPAC name is 2-[[[4-[bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-6-[[2-(methylamino)-2-oxoethyl]-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl 2-methylprop-2-enoate;2-[[[4-[bis(2-prop-2-enoyloxyethoxymethyl)amino]-6-[[2-(methylamino)-2-oxoethyl]-(2-prop-2-enoyloxyethoxymethyl)amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl prop-2-enoate.

Molecular Properties

• Compound Name: 2-[[[4-[bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-6-[[2-(methylamino)-2-oxoethyl]-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl 2-methylprop-2-enoate;2-[[[4-[bis(2-prop-2-enoyloxyethoxymethyl)amino]-6-[[2-(methylamino)-2-oxoethyl]-(2-prop-2-enoyloxyethoxymethyl)amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl prop-2-enoate
• PubChem CID: 158837987
• Molecular Formula: C70H104N16O28
• Molecular Weight: 1617.69 g/mol
• Exact Mass: 1616.72
• IUPAC Name: 2-[[[4-[bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-6-[[2-(methylamino)-2-oxoethyl]-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl 2-methylprop-2-enoate;2-[[[4-[bis(2-prop-2-enoyloxyethoxymethyl)amino]-6-[[2-(methylamino)-2-oxoethyl]-(2-prop-2-enoyloxyethoxymethyl)amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl prop-2-enoate
• SMILES: C=C(C)C(=O)OCCOCN(COCCOC(=O)C(=C)C)c1nc(N(COCCOC(=O)C(=C)C)CC(=O)NC)nc(N(COCCOC(=O)C(=C)C)CC(=O)NC)n1.C=CC(=O)OCCOCN(COCCOC(=O)C=C)c1nc(N(COCCOC(=O)C=C)CC(=O)NC)nc(N(COCCOC(=O)C=C)CC(=O)NC)n1
• InChI: InChI=1S/C37H56N8O14.C33H48N8O14/c1-25(2)31(48)56-15-11-52-21-43(19-29(46)38-9)35-40-36(44(20-30(47)39-10)22-53-12-16-57-32(49)26(3)4)42-37(41-35)45(23-54-13-17-58-33(50)27(5)6)24-55-14-18-59-34(51)28(7)8;1-7-27(44)52-15-11-48-21-39(19-25(42)34-5)31-36-32(40(20-26(43)35-6)22-49-12-16-53-28(45)8-2)38-33(37-31)41(23-50-13-17-54-29(46)9-3)24-51-14-18-55-30(47)10-4/h1,3,5,7,11-24H2,2,4,6,8-10H3,(H,38,46)(H,39,47);7-10H,1-4,11-24H2,5-6H3,(H,34,42)(H,35,43)
• InChIKey: IXWLKVQUJXAMSB-UHFFFAOYSA-N
• XLogP: -1.25
• TPSA: 497.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 40
• Rotatable Bonds: 62
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1617.69
LogP ≤ 5	-1.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-[bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-6-[[2-(methylamino)-2-oxoethyl]-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl 2-methylprop-2-enoate;2-[[[4-[bis(2-prop-2-enoyloxyethoxymethyl)amino]-6-[[2-(methylamino)-2-oxoethyl]-(2-prop-2-enoyloxyethoxymethyl)amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl prop-2-enoate?

The IUPAC name of 2-[[[4-[bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-6-[[2-(methylamino)-2-oxoethyl]-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl 2-methylprop-2-enoate;2-[[[4-[bis(2-prop-2-enoyloxyethoxymethyl)amino]-6-[[2-(methylamino)-2-oxoethyl]-(2-prop-2-enoyloxyethoxymethyl)amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl prop-2-enoate (CID 158837987) is 2-[[[4-[bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-6-[[2-(methylamino)-2-oxoethyl]-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl 2-methylprop-2-enoate;2-[[[4-[bis(2-prop-2-enoyloxyethoxymethyl)amino]-6-[[2-(methylamino)-2-oxoethyl]-(2-prop-2-enoyloxyethoxymethyl)amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl prop-2-enoate.

What is the SMILES notation for 2-[[[4-[bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-6-[[2-(methylamino)-2-oxoethyl]-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl 2-methylprop-2-enoate;2-[[[4-[bis(2-prop-2-enoyloxyethoxymethyl)amino]-6-[[2-(methylamino)-2-oxoethyl]-(2-prop-2-enoyloxyethoxymethyl)amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl prop-2-enoate?

The canonical SMILES for 2-[[[4-[bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-6-[[2-(methylamino)-2-oxoethyl]-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl 2-methylprop-2-enoate;2-[[[4-[bis(2-prop-2-enoyloxyethoxymethyl)amino]-6-[[2-(methylamino)-2-oxoethyl]-(2-prop-2-enoyloxyethoxymethyl)amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl prop-2-enoate is C=C(C)C(=O)OCCOCN(COCCOC(=O)C(=C)C)c1nc(N(COCCOC(=O)C(=C)C)CC(=O)NC)nc(N(COCCOC(=O)C(=C)C)CC(=O)NC)n1.C=CC(=O)OCCOCN(COCCOC(=O)C=C)c1nc(N(COCCOC(=O)C=C)CC(=O)NC)nc(N(COCCOC(=O)C=C)CC(=O)NC)n1.

What is the InChIKey of 2-[[[4-[bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-6-[[2-(methylamino)-2-oxoethyl]-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl 2-methylprop-2-enoate;2-[[[4-[bis(2-prop-2-enoyloxyethoxymethyl)amino]-6-[[2-(methylamino)-2-oxoethyl]-(2-prop-2-enoyloxyethoxymethyl)amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl prop-2-enoate?

The InChIKey is IXWLKVQUJXAMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H56N8O14.C33H48N8O14/c1-25(2)31(48)56-15-11-52-21-43(19-29(46)38-9)35-40-36(44(20-30(47)39-10)22-53-12-16-57-32(49)26(3)4)42-37(41-35)45(23-54-13-17-58-33(50)27(5)6)24-55-14-18-59-34(51)28(7)8;1-7-27(44)52-15-11-48-21-39(19-25(42)34-5)31-36-32(40(20-26(43)35-6)22-49-12-16-53-28(45)8-2)38-33(37-31)41(23-50-13-17-54-29(46)9-3)24-51-14-18-55-30(47)10-4/h1,3,5,7,11-24H2,2,4,6,8-10H3,(H,38,46)(H,39,47);7-10H,1-4,11-24H2,5-6H3,(H,34,42)(H,35,43).

What are the key properties of 2-[[[4-[bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-6-[[2-(methylamino)-2-oxoethyl]-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl 2-methylprop-2-enoate;2-[[[4-[bis(2-prop-2-enoyloxyethoxymethyl)amino]-6-[[2-(methylamino)-2-oxoethyl]-(2-prop-2-enoyloxyethoxymethyl)amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl prop-2-enoate?

2-[[[4-[bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-6-[[2-(methylamino)-2-oxoethyl]-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl 2-methylprop-2-enoate;2-[[[4-[bis(2-prop-2-enoyloxyethoxymethyl)amino]-6-[[2-(methylamino)-2-oxoethyl]-(2-prop-2-enoyloxyethoxymethyl)amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl prop-2-enoate has a molecular weight of 1617.69 g/mol, XLogP of -1.25, 62 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[[4-[bis[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-6-[[2-(methylamino)-2-oxoethyl]-[2-(2-methylprop-2-enoyloxy)ethoxymethyl]amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl 2-methylprop-2-enoate;2-[[[4-[bis(2-prop-2-enoyloxyethoxymethyl)amino]-6-[[2-(methylamino)-2-oxoethyl]-(2-prop-2-enoyloxyethoxymethyl)amino]-1,3,5-triazin-2-yl]-[2-(methylamino)-2-oxoethyl]amino]methoxy]ethyl prop-2-enoate is sourced from PubChem (CID 158837987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).