2-[6-[3-(6-aminohexyl)-5-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-2,4,6-trioxocyclohexyl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;2-[6-[3-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-5-[6-[2-[2-carbamoyloxyethyl(methyl)amino]ethoxycarbonyl-methylamino]hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;methane

C151H233N23O30 — CID 159072411

About 2-[6-[3-(6-aminohexyl)-5-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-2,4,6-trioxocyclohexyl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;2-[6-[3-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-5-[6-[2-[2-carbamoyloxyethyl(methyl)amino]ethoxycarbonyl-methylamino]hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;methane

2-[6-[3-(6-aminohexyl)-5-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-2,4,6-trioxocyclohexyl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;2-[6-[3-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-5-[6-[2-[2-carbamoyloxyethyl(methyl)amino]ethoxycarbonyl-methylamino]hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;methane (PubChem CID 159072411) has the molecular formula C151H233N23O30 and a molecular weight of 2850.66 g/mol. Its IUPAC name is 2-[6-[3-(6-aminohexyl)-5-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-2,4,6-trioxocyclohexyl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;2-[6-[3-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-5-[6-[2-[2-carbamoyloxyethyl(methyl)amino]ethoxycarbonyl-methylamino]hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;methane.

Molecular Properties

• Compound Name: 2-[6-[3-(6-aminohexyl)-5-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-2,4,6-trioxocyclohexyl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;2-[6-[3-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-5-[6-[2-[2-carbamoyloxyethyl(methyl)amino]ethoxycarbonyl-methylamino]hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;methane
• PubChem CID: 159072411
• Molecular Formula: C151H233N23O30
• Molecular Weight: 2850.66 g/mol
• Exact Mass: 2848.74
• IUPAC Name: 2-[6-[3-(6-aminohexyl)-5-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-2,4,6-trioxocyclohexyl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;2-[6-[3-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-5-[6-[2-[2-carbamoyloxyethyl(methyl)amino]ethoxycarbonyl-methylamino]hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;methane
• SMILES: C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1cc(CCC(=O)OCCOC(=O)NCCCCCCC2C(=O)C(CCCCCCN)C(=O)C(CCCCCCNC(=O)OCCOC(=O)CCc3cc(-n4nc5ccccc5n4)c(O)c(C(C)(C)C)c3)C2=O)cc(-n2nc3ccccc3n2)c1O.CN(CCOC(N)=O)CCOC(=O)N(C)CCCCCCn1c(=O)n(CCCCCCNC(=O)OCCOC(=O)CCc2cc(-n3nc4ccccc4n3)c(O)c(C(C)(C)C)c2)c(=O)n(CCCCCCNC(=O)OCCOC(=O)CCc2cc(-n3nc4ccccc4n3)c(O)c(C(C)(C)C)c2)c1=O
• InChI: InChI=1S/C73H102N14O17.C68H91N9O13.10CH4/c1-72(2,3)53-47-51(49-59(63(53)90)86-77-55-25-15-16-26-56(55)78-86)29-31-61(88)99-43-45-102-66(93)75-33-19-9-11-22-36-83-68(95)84(70(97)85(69(83)96)38-24-14-13-21-35-82(8)71(98)104-42-40-81(7)39-41-101-65(74)92)37-23-12-10-20-34-76-67(94)103-46-44-100-62(89)32-30-52-48-54(73(4,5)6)64(91)60(50-52)87-79-57-27-17-18-28-58(57)80-87;1-67(2,3)50-41-45(43-56(63(50)83)76-72-52-26-16-17-27-53(52)73-76)30-32-58(78)87-37-39-89-65(85)70-35-21-11-8-14-24-48-60(80)47(23-13-7-10-20-34-69)61(81)49(62(48)82)25-15-9-12-22-36-71-66(86)90-40-38-88-59(79)33-31-46-42-51(68(4,5)6)64(84)57(44-46)77-74-54-28-18-19-29-55(54)75-77;;;;;;;;;;/h15-18,25-28,47-50,90-91H,9-14,19-24,29-46H2,1-8H3,(H2,74,92)(H,75,93)(H,76,94);16-19,26-29,41-44,47-49,83-84H,7-15,20-25,30-40,69H2,1-6H3,(H,70,85)(H,71,86);10*1H4
• InChIKey: JZVGFHPUCIRGDY-UHFFFAOYSA-N
• XLogP: 25.23
• TPSA: 690.61 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 47
• Rotatable Bonds: 75
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2850.66
LogP ≤ 5	25.23
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(6-aminohexyl)-5-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-2,4,6-trioxocyclohexyl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;2-[6-[3-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-5-[6-[2-[2-carbamoyloxyethyl(methyl)amino]ethoxycarbonyl-methylamino]hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;methane?

The IUPAC name of 2-[6-[3-(6-aminohexyl)-5-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-2,4,6-trioxocyclohexyl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;2-[6-[3-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-5-[6-[2-[2-carbamoyloxyethyl(methyl)amino]ethoxycarbonyl-methylamino]hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;methane (CID 159072411) is 2-[6-[3-(6-aminohexyl)-5-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-2,4,6-trioxocyclohexyl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;2-[6-[3-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-5-[6-[2-[2-carbamoyloxyethyl(methyl)amino]ethoxycarbonyl-methylamino]hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;methane.

What is the SMILES notation for 2-[6-[3-(6-aminohexyl)-5-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-2,4,6-trioxocyclohexyl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;2-[6-[3-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-5-[6-[2-[2-carbamoyloxyethyl(methyl)amino]ethoxycarbonyl-methylamino]hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;methane?

The canonical SMILES for 2-[6-[3-(6-aminohexyl)-5-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-2,4,6-trioxocyclohexyl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;2-[6-[3-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-5-[6-[2-[2-carbamoyloxyethyl(methyl)amino]ethoxycarbonyl-methylamino]hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;methane is C.C.C.C.C.C.C.C.C.C.CC(C)(C)c1cc(CCC(=O)OCCOC(=O)NCCCCCCC2C(=O)C(CCCCCCN)C(=O)C(CCCCCCNC(=O)OCCOC(=O)CCc3cc(-n4nc5ccccc5n4)c(O)c(C(C)(C)C)c3)C2=O)cc(-n2nc3ccccc3n2)c1O.CN(CCOC(N)=O)CCOC(=O)N(C)CCCCCCn1c(=O)n(CCCCCCNC(=O)OCCOC(=O)CCc2cc(-n3nc4ccccc4n3)c(O)c(C(C)(C)C)c2)c(=O)n(CCCCCCNC(=O)OCCOC(=O)CCc2cc(-n3nc4ccccc4n3)c(O)c(C(C)(C)C)c2)c1=O.

What is the InChIKey of 2-[6-[3-(6-aminohexyl)-5-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-2,4,6-trioxocyclohexyl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;2-[6-[3-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-5-[6-[2-[2-carbamoyloxyethyl(methyl)amino]ethoxycarbonyl-methylamino]hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;methane?

The InChIKey is JZVGFHPUCIRGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H102N14O17.C68H91N9O13.10CH4/c1-72(2,3)53-47-51(49-59(63(53)90)86-77-55-25-15-16-26-56(55)78-86)29-31-61(88)99-43-45-102-66(93)75-33-19-9-11-22-36-83-68(95)84(70(97)85(69(83)96)38-24-14-13-21-35-82(8)71(98)104-42-40-81(7)39-41-101-65(74)92)37-23-12-10-20-34-76-67(94)103-46-44-100-62(89)32-30-52-48-54(73(4,5)6)64(91)60(50-52)87-79-57-27-17-18-28-58(57)80-87;1-67(2,3)50-41-45(43-56(63(50)83)76-72-52-26-16-17-27-53(52)73-76)30-32-58(78)87-37-39-89-65(85)70-35-21-11-8-14-24-48-60(80)47(23-13-7-10-20-34-69)61(81)49(62(48)82)25-15-9-12-22-36-71-66(86)90-40-38-88-59(79)33-31-46-42-51(68(4,5)6)64(84)57(44-46)77-74-54-28-18-19-29-55(54)75-77;;;;;;;;;;/h15-18,25-28,47-50,90-91H,9-14,19-24,29-46H2,1-8H3,(H2,74,92)(H,75,93)(H,76,94);16-19,26-29,41-44,47-49,83-84H,7-15,20-25,30-40,69H2,1-6H3,(H,70,85)(H,71,86);10*1H4.

What are the key properties of 2-[6-[3-(6-aminohexyl)-5-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-2,4,6-trioxocyclohexyl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;2-[6-[3-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-5-[6-[2-[2-carbamoyloxyethyl(methyl)amino]ethoxycarbonyl-methylamino]hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;methane?

2-[6-[3-(6-aminohexyl)-5-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-2,4,6-trioxocyclohexyl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;2-[6-[3-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-5-[6-[2-[2-carbamoyloxyethyl(methyl)amino]ethoxycarbonyl-methylamino]hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;methane has a molecular weight of 2850.66 g/mol, XLogP of 25.23, 75 rotatable bonds, 10 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-(6-aminohexyl)-5-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-2,4,6-trioxocyclohexyl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;2-[6-[3-[6-[2-[3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoyloxy]ethoxycarbonylamino]hexyl]-5-[6-[2-[2-carbamoyloxyethyl(methyl)amino]ethoxycarbonyl-methylamino]hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]ethyl 3-[3-(benzotriazol-2-yl)-5-tert-butyl-4-hydroxyphenyl]propanoate;methane is sourced from PubChem (CID 159072411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).