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

C152H268N24O36 — CID 160699665

IUPAC2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=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)C(=O)NCCCCCCNC(=O)N(CCOC(=O)C(=C)C)C(C)(C)C)C(C)(C)C.C=C(C)C(=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)C(=O)NCCCCCCNC(=O)N(CCOC(=O)C(=C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/2C76H134N12O18/c2*1-57(2)61(89)101-53-47-85(73(9,10)11)67(95)79-41-31-23-21-29-39-77-65(93)83(45-35-27-25-33-43-81-69(97)87(75(15,16)17)49-55-103-63(91)59(5)6)71(99)105-51-37-38-52-106-72(100)84(46-36-28-26-34-44-82-70(98)88(76(18,19)20)50-56-104-64(92)60(7)8)66(94)78-40-30-22-24-32-42-80-68(96)86(74(12,13)14)48-54-102-62(90)58(3)4/h2*1,3,5,7,21-56H2,2,4,6,8-20H3,(H,77,93)(H,78,94)(H,79,95)(H,80,96)(H,81,97)(H,82,98)
InChIKeyRQLLJUJXWHLHHC-UHFFFAOYSA-N
MW3007.95 g/mol
LogP24.04
Rot. Bonds98

About 2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]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-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate (PubChem CID 160699665) has the molecular formula C152H268N24O36 and a molecular weight of 3007.95 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-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate
PubChem CID160699665
Molecular FormulaC152H268N24O36
Molecular Weight3007.95 g/mol
Exact Mass3005.99
IUPAC Name2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=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)C(=O)NCCCCCCNC(=O)N(CCOC(=O)C(=C)C)C(C)(C)C)C(C)(C)C.C=C(C)C(=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)C(=O)NCCCCCCNC(=O)N(CCOC(=O)C(=C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/2C76H134N12O18/c2*1-57(2)61(89)101-53-47-85(73(9,10)11)67(95)79-41-31-23-21-29-39-77-65(93)83(45-35-27-25-33-43-81-69(97)87(75(15,16)17)49-55-103-63(91)59(5)6)71(99)105-51-37-38-52-106-72(100)84(46-36-28-26-34-44-82-70(98)88(76(18,19)20)50-56-104-64(92)60(7)8)66(94)78-40-30-22-24-32-42-80-68(96)86(74(12,13)14)48-54-102-62(90)58(3)4/h2*1,3,5,7,21-56H2,2,4,6,8-20H3,(H,77,93)(H,78,94)(H,79,95)(H,80,96)(H,81,97)(H,82,98)
InChIKeyRQLLJUJXWHLHHC-UHFFFAOYSA-N
XLogP24.04
TPSA703.68 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds98
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003007.95
LogP ≤ 524.04
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

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'}

Analyze 2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate with MolForge

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Related Compounds

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
2-[tert-butyl(butylcarbamoyl)amino]ethyl 2-methylprop-2-enoate
CID 54523136
2-[[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate
CID 88559321
23,23-dimethyltetracosyl 2-methylprop-2-enoate
CID 178182049
14-[(2-methylpropan-2-yl)oxy]tetradecyl 2-methylprop-2-enoate
CID 166506035
5-[(2-methylpropan-2-yl)oxy]pentyl 2-methylprop-2-enoate
CID 167430528
3-[4-acetamidobutyl(acetyl)amino]propyl 2-methylprop-2-enoate
CID 139977048
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
8-(dimethylamino)octyl 2-methylprop-2-enoate;hydrobromide
CID 141499392
3-acetamidopropyl 2-methylprop-2-enoate
CID 15055173
4-[6-[bis(heptylcarbamoyl)amino]hexylcarbamoyloxy]butyl N-[6-[bis(heptylcarbamoyl)amino]hexyl]carbamate
CID 20789752
10-(diethylamino)decyl 2-methylprop-2-enoate
CID 88816088

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-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]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-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate (CID 160699665) is 2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]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-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]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-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=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)C(=O)NCCCCCCNC(=O)N(CCOC(=O)C(=C)C)C(C)(C)C)C(C)(C)C.C=C(C)C(=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)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-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate?
The InChIKey is RQLLJUJXWHLHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C76H134N12O18/c2*1-57(2)61(89)101-53-47-85(73(9,10)11)67(95)79-41-31-23-21-29-39-77-65(93)83(45-35-27-25-33-43-81-69(97)87(75(15,16)17)49-55-103-63(91)59(5)6)71(99)105-51-37-38-52-106-72(100)84(46-36-28-26-34-44-82-70(98)88(76(18,19)20)50-56-104-64(92)60(7)8)66(94)78-40-30-22-24-32-42-80-68(96)86(74(12,13)14)48-54-102-62(90)58(3)4/h2*1,3,5,7,21-56H2,2,4,6,8-20H3,(H,77,93)(H,78,94)(H,79,95)(H,80,96)(H,81,97)(H,82,98).
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-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]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-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate has a molecular weight of 3007.95 g/mol, XLogP of 24.04, 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-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 160699665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).