2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate;2-[tert-butyl-[6-[[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate

C148H260N24O36 — CID 161111351

About 2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate;2-[tert-butyl-[6-[[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate

2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate;2-[tert-butyl-[6-[[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate (PubChem CID 161111351) has the molecular formula C148H260N24O36 and a molecular weight of 2951.84 g/mol. Its IUPAC name is 2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate;2-[tert-butyl-[6-[[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate;2-[tert-butyl-[6-[[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate
• PubChem CID: 161111351
• Molecular Formula: C148H260N24O36
• Molecular Weight: 2951.84 g/mol
• Exact Mass: 2949.93
• IUPAC Name: 2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate;2-[tert-butyl-[6-[[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate
• SMILES: C=CC(=O)OCCN(C(=O)NCCCCCCNC(=O)N(CCCCCCNC(=O)N(CCOC(=O)C(=C)C)C(C)(C)C)C(=O)OCCCCOC(=O)N(CCCCCCNC(=O)N(CCOC(=O)C=C)C(C)(C)C)C(=O)NCCCCCCNC(=O)N(CCOC(=O)C(=C)C)C(C)(C)C)C(C)(C)C.C=CC(=O)OCCN(C(=O)NCCCCCCNC(=O)N(CCCCCCNC(=O)N(CCOC(=O)C=C)C(C)(C)C)C(=O)OCCCCOC(=O)N(CCCCCCNC(=O)N(CCOC(=O)C(=C)C)C(C)(C)C)C(=O)NCCCCCCNC(=O)N(CCOC(=O)C(=C)C)C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/2C74H130N12O18/c1-19-59(87)99-53-47-83(71(7,8)9)65(93)77-41-31-23-21-29-39-75-63(91)82(46-36-28-26-34-44-80-68(96)86(74(16,17)18)50-56-102-62(90)58(5)6)70(98)104-52-38-37-51-103-69(97)81(45-35-27-25-33-43-79-66(94)84(72(10,11)12)48-54-100-60(88)20-2)64(92)76-40-30-22-24-32-42-78-67(95)85(73(13,14)15)49-55-101-61(89)57(3)4;1-19-59(87)99-53-47-83(71(7,8)9)65(93)77-41-31-23-21-29-39-75-63(91)81(45-35-27-25-33-43-79-66(94)84(72(10,11)12)48-54-100-60(88)20-2)69(97)103-51-37-38-52-104-70(98)82(46-36-28-26-34-44-80-68(96)86(74(16,17)18)50-56-102-62(90)58(5)6)64(92)76-40-30-22-24-32-42-78-67(95)85(73(13,14)15)49-55-101-61(89)57(3)4/h2*19-20H,1-3,5,21-56H2,4,6-18H3,(H,75,91)(H,76,92)(H,77,93)(H,78,95)(H,79,94)(H,80,96)
• InChIKey: UJSSKILDBZFOCM-UHFFFAOYSA-N
• XLogP: 22.48
• TPSA: 703.68 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 98
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2951.84
LogP ≤ 5	22.48
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate;2-[tert-butyl-[6-[[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate?

The IUPAC name of 2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate;2-[tert-butyl-[6-[[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate (CID 161111351) is 2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate;2-[tert-butyl-[6-[[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate.

What is the SMILES notation for 2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate;2-[tert-butyl-[6-[[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate?

The canonical SMILES for 2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate;2-[tert-butyl-[6-[[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate is C=CC(=O)OCCN(C(=O)NCCCCCCNC(=O)N(CCCCCCNC(=O)N(CCOC(=O)C(=C)C)C(C)(C)C)C(=O)OCCCCOC(=O)N(CCCCCCNC(=O)N(CCOC(=O)C=C)C(C)(C)C)C(=O)NCCCCCCNC(=O)N(CCOC(=O)C(=C)C)C(C)(C)C)C(C)(C)C.C=CC(=O)OCCN(C(=O)NCCCCCCNC(=O)N(CCCCCCNC(=O)N(CCOC(=O)C=C)C(C)(C)C)C(=O)OCCCCOC(=O)N(CCCCCCNC(=O)N(CCOC(=O)C(=C)C)C(C)(C)C)C(=O)NCCCCCCNC(=O)N(CCOC(=O)C(=C)C)C(C)(C)C)C(C)(C)C.

What is the InChIKey of 2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate;2-[tert-butyl-[6-[[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate?

The InChIKey is UJSSKILDBZFOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C74H130N12O18/c1-19-59(87)99-53-47-83(71(7,8)9)65(93)77-41-31-23-21-29-39-75-63(91)82(46-36-28-26-34-44-80-68(96)86(74(16,17)18)50-56-102-62(90)58(5)6)70(98)104-52-38-37-51-103-69(97)81(45-35-27-25-33-43-79-66(94)84(72(10,11)12)48-54-100-60(88)20-2)64(92)76-40-30-22-24-32-42-78-67(95)85(73(13,14)15)49-55-101-61(89)57(3)4;1-19-59(87)99-53-47-83(71(7,8)9)65(93)77-41-31-23-21-29-39-75-63(91)81(45-35-27-25-33-43-79-66(94)84(72(10,11)12)48-54-100-60(88)20-2)69(97)103-51-37-38-52-104-70(98)82(46-36-28-26-34-44-80-68(96)86(74(16,17)18)50-56-102-62(90)58(5)6)64(92)76-40-30-22-24-32-42-78-67(95)85(73(13,14)15)49-55-101-61(89)57(3)4/h2*19-20H,1-3,5,21-56H2,4,6-18H3,(H,75,91)(H,76,92)(H,77,93)(H,78,95)(H,79,94)(H,80,96).

What are the key properties of 2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate;2-[tert-butyl-[6-[[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate?

2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate;2-[tert-butyl-[6-[[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate has a molecular weight of 2951.84 g/mol, XLogP of 22.48, 98 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate;2-[tert-butyl-[6-[[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 161111351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).