[3-[2-[3-[[[3-(benzylcarbamoyloxy)-2,2-dimethylpropoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetyl]oxy-2,2-dimethylpropyl] 3-phenylpropanoate;benzyl 4-[[1,3,3-trimethyl-5-[2-oxo-2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]cyclohexyl]methylcarbamoyloxy]butanoate;[3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2,2-dimethylpropyl] N-benzylcarbamate;3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-benzylcarbamate;2-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]ethyl 3-phenylpropanoate;2-[[3-[(propan-2-yloxycarbonylamino)methyl]cyclohexa-2,4-dien-1-yl]methylcarbamoyloxy]ethyl (4Z)-4-ethenylhepta-4,6-dienoate

C168H226N14O40 — CID 159902921

IUPAC[3-[2-[3-[[[3-(benzylcarbamoyloxy)-2,2-dimethylpropoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetyl]oxy-2,2-dimethylpropyl] 3-phenylpropanoate;benzyl 4-[[1,3,3-trimethyl-5-[2-oxo-2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]cyclohexyl]methylcarbamoyloxy]butanoate;[3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2,2-dimethylpropyl] N-benzylcarbamate;3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-benzylcarbamate;2-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]ethyl 3-phenylpropanoate;2-[[3-[(propan-2-yloxycarbonylamino)methyl]cyclohexa-2,4-dien-1-yl]methylcarbamoyloxy]ethyl (4Z)-4-ethenylhepta-4,6-dienoate
SMILESC=C/C=C(\C=C)CCC(=O)OCCOC(=O)NCC1C=C(CNC(=O)OC(C)C)C=CC1.CC(C)(COC(=O)CCc1ccccc1)COC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OCC(C)(C)COC(=O)NCc2ccccc2)C1.CC1(C)CC(CC(=O)OCCNC(=O)OCc2ccccc2)CC(C)(CNC(=O)OCCCC(=O)OCc2ccccc2)C1.CCOC(=O)NCc1cccc(CNC(=O)OCC(C)(C)COC(=O)NCc2ccccc2)c1.CCOC(=O)NCc1cccc(CNC(=O)OCCCOC(=O)NCc2ccccc2)c1.COC(=O)NCc1cccc(CNC(=O)OCCOC(=O)CCc2ccccc2)c1
InChIInChI=1S/C40H58N2O8.C34H46N2O8.C25H33N3O6.C24H34N2O6.C23H29N3O6.C22H26N2O6/c1-37(2)21-32(20-34(44)48-27-38(3,4)26-47-33(43)19-18-30-14-10-8-11-15-30)22-40(7,24-37)25-42-36(46)50-29-39(5,6)28-49-35(45)41-23-31-16-12-9-13-17-31;1-33(2)20-28(19-30(38)41-18-16-35-31(39)44-23-27-13-8-5-9-14-27)21-34(3,24-33)25-36-32(40)42-17-10-15-29(37)43-22-26-11-6-4-7-12-26;1-4-32-22(29)27-15-20-11-8-12-21(13-20)16-28-24(31)34-18-25(2,3)17-33-23(30)26-14-19-9-6-5-7-10-19;1-5-8-19(6-2)11-12-22(27)30-13-14-31-23(28)25-16-20-9-7-10-21(15-20)17-26-24(29)32-18(3)4;1-2-30-21(27)25-16-19-10-6-11-20(14-19)17-26-23(29)32-13-7-12-31-22(28)24-15-18-8-4-3-5-9-18;1-28-21(26)23-15-18-8-5-9-19(14-18)16-24-22(27)30-13-12-29-20(25)11-10-17-6-3-2-4-7-17/h8-17,32H,18-29H2,1-7H3,(H,41,45)(H,42,46);4-9,11-14,28H,10,15-25H2,1-3H3,(H,35,39)(H,36,40);5-13H,4,14-18H2,1-3H3,(H,26,30)(H,27,29)(H,28,31);5-8,10,15,18,20H,1-2,9,11-14,16-17H2,3-4H3,(H,25,28)(H,26,29);3-6,8-11,14H,2,7,12-13,15-17H2,1H3,(H,24,28)(H,25,27)(H,26,29);2-9,14H,10-13,15-16H2,1H3,(H,23,26)(H,24,27)/b;;;19-8+;;
InChIKeyNWERAZHOSTXGOW-YWZCIIIPSA-N
MW3081.71 g/mol
LogP28.07
Rot. Bonds77

About [3-[2-[3-[[[3-(benzylcarbamoyloxy)-2,2-dimethylpropoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetyl]oxy-2,2-dimethylpropyl] 3-phenylpropanoate;benzyl 4-[[1,3,3-trimethyl-5-[2-oxo-2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]cyclohexyl]methylcarbamoyloxy]butanoate;[3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2,2-dimethylpropyl] N-benzylcarbamate;3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-benzylcarbamate;2-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]ethyl 3-phenylpropanoate;2-[[3-[(propan-2-yloxycarbonylamino)methyl]cyclohexa-2,4-dien-1-yl]methylcarbamoyloxy]ethyl (4Z)-4-ethenylhepta-4,6-dienoate

[3-[2-[3-[[[3-(benzylcarbamoyloxy)-2,2-dimethylpropoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetyl]oxy-2,2-dimethylpropyl] 3-phenylpropanoate;benzyl 4-[[1,3,3-trimethyl-5-[2-oxo-2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]cyclohexyl]methylcarbamoyloxy]butanoate;[3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2,2-dimethylpropyl] N-benzylcarbamate;3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-benzylcarbamate;2-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]ethyl 3-phenylpropanoate;2-[[3-[(propan-2-yloxycarbonylamino)methyl]cyclohexa-2,4-dien-1-yl]methylcarbamoyloxy]ethyl (4Z)-4-ethenylhepta-4,6-dienoate (PubChem CID 159902921) has the molecular formula C168H226N14O40 and a molecular weight of 3081.71 g/mol. Its IUPAC name is [3-[2-[3-[[[3-(benzylcarbamoyloxy)-2,2-dimethylpropoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetyl]oxy-2,2-dimethylpropyl] 3-phenylpropanoate;benzyl 4-[[1,3,3-trimethyl-5-[2-oxo-2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]cyclohexyl]methylcarbamoyloxy]butanoate;[3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2,2-dimethylpropyl] N-benzylcarbamate;3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-benzylcarbamate;2-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]ethyl 3-phenylpropanoate;2-[[3-[(propan-2-yloxycarbonylamino)methyl]cyclohexa-2,4-dien-1-yl]methylcarbamoyloxy]ethyl (4Z)-4-ethenylhepta-4,6-dienoate.

Molecular Properties

Compound Name[3-[2-[3-[[[3-(benzylcarbamoyloxy)-2,2-dimethylpropoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetyl]oxy-2,2-dimethylpropyl] 3-phenylpropanoate;benzyl 4-[[1,3,3-trimethyl-5-[2-oxo-2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]cyclohexyl]methylcarbamoyloxy]butanoate;[3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2,2-dimethylpropyl] N-benzylcarbamate;3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-benzylcarbamate;2-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]ethyl 3-phenylpropanoate;2-[[3-[(propan-2-yloxycarbonylamino)methyl]cyclohexa-2,4-dien-1-yl]methylcarbamoyloxy]ethyl (4Z)-4-ethenylhepta-4,6-dienoate
PubChem CID159902921
Molecular FormulaC168H226N14O40
Molecular Weight3081.71 g/mol
Exact Mass3079.61
IUPAC Name[3-[2-[3-[[[3-(benzylcarbamoyloxy)-2,2-dimethylpropoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetyl]oxy-2,2-dimethylpropyl] 3-phenylpropanoate;benzyl 4-[[1,3,3-trimethyl-5-[2-oxo-2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]cyclohexyl]methylcarbamoyloxy]butanoate;[3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2,2-dimethylpropyl] N-benzylcarbamate;3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-benzylcarbamate;2-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]ethyl 3-phenylpropanoate;2-[[3-[(propan-2-yloxycarbonylamino)methyl]cyclohexa-2,4-dien-1-yl]methylcarbamoyloxy]ethyl (4Z)-4-ethenylhepta-4,6-dienoate
SMILESC=C/C=C(\C=C)CCC(=O)OCCOC(=O)NCC1C=C(CNC(=O)OC(C)C)C=CC1.CC(C)(COC(=O)CCc1ccccc1)COC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OCC(C)(C)COC(=O)NCc2ccccc2)C1.CC1(C)CC(CC(=O)OCCNC(=O)OCc2ccccc2)CC(C)(CNC(=O)OCCCC(=O)OCc2ccccc2)C1.CCOC(=O)NCc1cccc(CNC(=O)OCC(C)(C)COC(=O)NCc2ccccc2)c1.CCOC(=O)NCc1cccc(CNC(=O)OCCCOC(=O)NCc2ccccc2)c1.COC(=O)NCc1cccc(CNC(=O)OCCOC(=O)CCc2ccccc2)c1
InChIInChI=1S/C40H58N2O8.C34H46N2O8.C25H33N3O6.C24H34N2O6.C23H29N3O6.C22H26N2O6/c1-37(2)21-32(20-34(44)48-27-38(3,4)26-47-33(43)19-18-30-14-10-8-11-15-30)22-40(7,24-37)25-42-36(46)50-29-39(5,6)28-49-35(45)41-23-31-16-12-9-13-17-31;1-33(2)20-28(19-30(38)41-18-16-35-31(39)44-23-27-13-8-5-9-14-27)21-34(3,24-33)25-36-32(40)42-17-10-15-29(37)43-22-26-11-6-4-7-12-26;1-4-32-22(29)27-15-20-11-8-12-21(13-20)16-28-24(31)34-18-25(2,3)17-33-23(30)26-14-19-9-6-5-7-10-19;1-5-8-19(6-2)11-12-22(27)30-13-14-31-23(28)25-16-20-9-7-10-21(15-20)17-26-24(29)32-18(3)4;1-2-30-21(27)25-16-19-10-6-11-20(14-19)17-26-23(29)32-13-7-12-31-22(28)24-15-18-8-4-3-5-9-18;1-28-21(26)23-15-18-8-5-9-19(14-18)16-24-22(27)30-13-12-29-20(25)11-10-17-6-3-2-4-7-17/h8-17,32H,18-29H2,1-7H3,(H,41,45)(H,42,46);4-9,11-14,28H,10,15-25H2,1-3H3,(H,35,39)(H,36,40);5-13H,4,14-18H2,1-3H3,(H,26,30)(H,27,29)(H,28,31);5-8,10,15,18,20H,1-2,9,11-14,16-17H2,3-4H3,(H,25,28)(H,26,29);3-6,8-11,14H,2,7,12-13,15-17H2,1H3,(H,24,28)(H,25,27)(H,26,29);2-9,14H,10-13,15-16H2,1H3,(H,23,26)(H,24,27)/b;;;19-8+;;
InChIKeyNWERAZHOSTXGOW-YWZCIIIPSA-N
XLogP28.07
TPSA694.42 Ų
H-Bond Donors14
H-Bond Acceptors40
Rotatable Bonds77
Heavy Atoms222
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003081.71
LogP ≤ 528.07
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze [3-[2-[3-[[[3-(benzylcarbamoyloxy)-2,2-dimethylpropoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetyl]oxy-2,2-dimethylpropyl] 3-phenylpropanoate;benzyl 4-[[1,3,3-trimethyl-5-[2-oxo-2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]cyclohexyl]methylcarbamoyloxy]butanoate;[3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2,2-dimethylpropyl] N-benzylcarbamate;3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-benzylcarbamate;2-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]ethyl 3-phenylpropanoate;2-[[3-[(propan-2-yloxycarbonylamino)methyl]cyclohexa-2,4-dien-1-yl]methylcarbamoyloxy]ethyl (4Z)-4-ethenylhepta-4,6-dienoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[3-[[[3-(benzylcarbamoyloxy)-2,2-dimethylpropoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetyl]oxy-2,2-dimethylpropyl] 3-phenylpropanoate;benzyl 4-[[1,3,3-trimethyl-5-[2-oxo-2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]cyclohexyl]methylcarbamoyloxy]butanoate;[3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2,2-dimethylpropyl] N-benzylcarbamate;3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-benzylcarbamate;2-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]ethyl 3-phenylpropanoate;2-[[3-[(propan-2-yloxycarbonylamino)methyl]cyclohexa-2,4-dien-1-yl]methylcarbamoyloxy]ethyl (4Z)-4-ethenylhepta-4,6-dienoate?
The IUPAC name of [3-[2-[3-[[[3-(benzylcarbamoyloxy)-2,2-dimethylpropoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetyl]oxy-2,2-dimethylpropyl] 3-phenylpropanoate;benzyl 4-[[1,3,3-trimethyl-5-[2-oxo-2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]cyclohexyl]methylcarbamoyloxy]butanoate;[3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2,2-dimethylpropyl] N-benzylcarbamate;3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-benzylcarbamate;2-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]ethyl 3-phenylpropanoate;2-[[3-[(propan-2-yloxycarbonylamino)methyl]cyclohexa-2,4-dien-1-yl]methylcarbamoyloxy]ethyl (4Z)-4-ethenylhepta-4,6-dienoate (CID 159902921) is [3-[2-[3-[[[3-(benzylcarbamoyloxy)-2,2-dimethylpropoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetyl]oxy-2,2-dimethylpropyl] 3-phenylpropanoate;benzyl 4-[[1,3,3-trimethyl-5-[2-oxo-2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]cyclohexyl]methylcarbamoyloxy]butanoate;[3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2,2-dimethylpropyl] N-benzylcarbamate;3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-benzylcarbamate;2-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]ethyl 3-phenylpropanoate;2-[[3-[(propan-2-yloxycarbonylamino)methyl]cyclohexa-2,4-dien-1-yl]methylcarbamoyloxy]ethyl (4Z)-4-ethenylhepta-4,6-dienoate.
What is the SMILES notation for [3-[2-[3-[[[3-(benzylcarbamoyloxy)-2,2-dimethylpropoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetyl]oxy-2,2-dimethylpropyl] 3-phenylpropanoate;benzyl 4-[[1,3,3-trimethyl-5-[2-oxo-2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]cyclohexyl]methylcarbamoyloxy]butanoate;[3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2,2-dimethylpropyl] N-benzylcarbamate;3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-benzylcarbamate;2-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]ethyl 3-phenylpropanoate;2-[[3-[(propan-2-yloxycarbonylamino)methyl]cyclohexa-2,4-dien-1-yl]methylcarbamoyloxy]ethyl (4Z)-4-ethenylhepta-4,6-dienoate?
The canonical SMILES for [3-[2-[3-[[[3-(benzylcarbamoyloxy)-2,2-dimethylpropoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetyl]oxy-2,2-dimethylpropyl] 3-phenylpropanoate;benzyl 4-[[1,3,3-trimethyl-5-[2-oxo-2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]cyclohexyl]methylcarbamoyloxy]butanoate;[3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2,2-dimethylpropyl] N-benzylcarbamate;3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-benzylcarbamate;2-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]ethyl 3-phenylpropanoate;2-[[3-[(propan-2-yloxycarbonylamino)methyl]cyclohexa-2,4-dien-1-yl]methylcarbamoyloxy]ethyl (4Z)-4-ethenylhepta-4,6-dienoate is C=C/C=C(\C=C)CCC(=O)OCCOC(=O)NCC1C=C(CNC(=O)OC(C)C)C=CC1.CC(C)(COC(=O)CCc1ccccc1)COC(=O)CC1CC(C)(C)CC(C)(CNC(=O)OCC(C)(C)COC(=O)NCc2ccccc2)C1.CC1(C)CC(CC(=O)OCCNC(=O)OCc2ccccc2)CC(C)(CNC(=O)OCCCC(=O)OCc2ccccc2)C1.CCOC(=O)NCc1cccc(CNC(=O)OCC(C)(C)COC(=O)NCc2ccccc2)c1.CCOC(=O)NCc1cccc(CNC(=O)OCCCOC(=O)NCc2ccccc2)c1.COC(=O)NCc1cccc(CNC(=O)OCCOC(=O)CCc2ccccc2)c1.
What is the InChIKey of [3-[2-[3-[[[3-(benzylcarbamoyloxy)-2,2-dimethylpropoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetyl]oxy-2,2-dimethylpropyl] 3-phenylpropanoate;benzyl 4-[[1,3,3-trimethyl-5-[2-oxo-2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]cyclohexyl]methylcarbamoyloxy]butanoate;[3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2,2-dimethylpropyl] N-benzylcarbamate;3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-benzylcarbamate;2-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]ethyl 3-phenylpropanoate;2-[[3-[(propan-2-yloxycarbonylamino)methyl]cyclohexa-2,4-dien-1-yl]methylcarbamoyloxy]ethyl (4Z)-4-ethenylhepta-4,6-dienoate?
The InChIKey is NWERAZHOSTXGOW-YWZCIIIPSA-N. The full InChI is InChI=1S/C40H58N2O8.C34H46N2O8.C25H33N3O6.C24H34N2O6.C23H29N3O6.C22H26N2O6/c1-37(2)21-32(20-34(44)48-27-38(3,4)26-47-33(43)19-18-30-14-10-8-11-15-30)22-40(7,24-37)25-42-36(46)50-29-39(5,6)28-49-35(45)41-23-31-16-12-9-13-17-31;1-33(2)20-28(19-30(38)41-18-16-35-31(39)44-23-27-13-8-5-9-14-27)21-34(3,24-33)25-36-32(40)42-17-10-15-29(37)43-22-26-11-6-4-7-12-26;1-4-32-22(29)27-15-20-11-8-12-21(13-20)16-28-24(31)34-18-25(2,3)17-33-23(30)26-14-19-9-6-5-7-10-19;1-5-8-19(6-2)11-12-22(27)30-13-14-31-23(28)25-16-20-9-7-10-21(15-20)17-26-24(29)32-18(3)4;1-2-30-21(27)25-16-19-10-6-11-20(14-19)17-26-23(29)32-13-7-12-31-22(28)24-15-18-8-4-3-5-9-18;1-28-21(26)23-15-18-8-5-9-19(14-18)16-24-22(27)30-13-12-29-20(25)11-10-17-6-3-2-4-7-17/h8-17,32H,18-29H2,1-7H3,(H,41,45)(H,42,46);4-9,11-14,28H,10,15-25H2,1-3H3,(H,35,39)(H,36,40);5-13H,4,14-18H2,1-3H3,(H,26,30)(H,27,29)(H,28,31);5-8,10,15,18,20H,1-2,9,11-14,16-17H2,3-4H3,(H,25,28)(H,26,29);3-6,8-11,14H,2,7,12-13,15-17H2,1H3,(H,24,28)(H,25,27)(H,26,29);2-9,14H,10-13,15-16H2,1H3,(H,23,26)(H,24,27)/b;;;19-8+;;.
What are the key properties of [3-[2-[3-[[[3-(benzylcarbamoyloxy)-2,2-dimethylpropoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetyl]oxy-2,2-dimethylpropyl] 3-phenylpropanoate;benzyl 4-[[1,3,3-trimethyl-5-[2-oxo-2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]cyclohexyl]methylcarbamoyloxy]butanoate;[3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2,2-dimethylpropyl] N-benzylcarbamate;3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-benzylcarbamate;2-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]ethyl 3-phenylpropanoate;2-[[3-[(propan-2-yloxycarbonylamino)methyl]cyclohexa-2,4-dien-1-yl]methylcarbamoyloxy]ethyl (4Z)-4-ethenylhepta-4,6-dienoate?
[3-[2-[3-[[[3-(benzylcarbamoyloxy)-2,2-dimethylpropoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetyl]oxy-2,2-dimethylpropyl] 3-phenylpropanoate;benzyl 4-[[1,3,3-trimethyl-5-[2-oxo-2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]cyclohexyl]methylcarbamoyloxy]butanoate;[3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2,2-dimethylpropyl] N-benzylcarbamate;3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-benzylcarbamate;2-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]ethyl 3-phenylpropanoate;2-[[3-[(propan-2-yloxycarbonylamino)methyl]cyclohexa-2,4-dien-1-yl]methylcarbamoyloxy]ethyl (4Z)-4-ethenylhepta-4,6-dienoate has a molecular weight of 3081.71 g/mol, XLogP of 28.07, 77 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[3-[[[3-(benzylcarbamoyloxy)-2,2-dimethylpropoxy]carbonylamino]methyl]-3,5,5-trimethylcyclohexyl]acetyl]oxy-2,2-dimethylpropyl] 3-phenylpropanoate;benzyl 4-[[1,3,3-trimethyl-5-[2-oxo-2-[2-(phenylmethoxycarbonylamino)ethoxy]ethyl]cyclohexyl]methylcarbamoyloxy]butanoate;[3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]-2,2-dimethylpropyl] N-benzylcarbamate;3-[[3-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]propyl N-benzylcarbamate;2-[[3-[(methoxycarbonylamino)methyl]phenyl]methylcarbamoyloxy]ethyl 3-phenylpropanoate;2-[[3-[(propan-2-yloxycarbonylamino)methyl]cyclohexa-2,4-dien-1-yl]methylcarbamoyloxy]ethyl (4Z)-4-ethenylhepta-4,6-dienoate is sourced from PubChem (CID 159902921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).