ethanol;ethyl 2-[[4-[[4-[2-[2-[[4-[[4-[(1-ethoxy-1-oxopropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propoxy]propoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propanoate;2-[2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]propoxy]propyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate

C90H102N8O25 — CID 158106008

IUPACethanol;ethyl 2-[[4-[[4-[2-[2-[[4-[[4-[(1-ethoxy-1-oxopropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propoxy]propoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propanoate;2-[2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]propoxy]propyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate
SMILESCC(COC(=O)Nc1ccc(Cc2ccc(N3C(=O)OC(C)C3=O)cc2)cc1)OCC(C)OC(=O)Nc1ccc(Cc2ccc(N3C(=O)OC(C)C3=O)cc2)cc1.CCO.CCOC(=O)C(C)OC(=O)Nc1ccc(Cc2ccc(NC(=O)OCC(C)OCC(C)OC(=O)Nc3ccc(Cc4ccc(NC(=O)OC(C)C(=O)OCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C46H54N4O13.C42H42N4O11.C2H6O/c1-7-57-41(51)31(5)62-45(55)49-39-21-13-35(14-22-39)25-33-9-17-37(18-10-33)47-43(53)60-27-29(3)59-28-30(4)61-44(54)48-38-19-11-34(12-20-38)26-36-15-23-40(24-16-36)50-46(56)63-32(6)42(52)58-8-2;1-25(23-54-39(49)43-33-13-5-29(6-14-33)21-31-9-17-35(18-10-31)45-37(47)27(3)56-41(45)51)53-24-26(2)55-40(50)44-34-15-7-30(8-16-34)22-32-11-19-36(20-12-32)46-38(48)28(4)57-42(46)52;1-2-3/h9-24,29-32H,7-8,25-28H2,1-6H3,(H,47,53)(H,48,54)(H,49,55)(H,50,56);5-20,25-28H,21-24H2,1-4H3,(H,43,49)(H,44,50);3H,2H2,1H3
InChIKeyFPVKXIGZKMUUBU-UHFFFAOYSA-N
MW1695.84 g/mol
LogP15.66
Rot. Bonds34

About ethanol;ethyl 2-[[4-[[4-[2-[2-[[4-[[4-[(1-ethoxy-1-oxopropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propoxy]propoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propanoate;2-[2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]propoxy]propyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate

ethanol;ethyl 2-[[4-[[4-[2-[2-[[4-[[4-[(1-ethoxy-1-oxopropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propoxy]propoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propanoate;2-[2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]propoxy]propyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate (PubChem CID 158106008) has the molecular formula C90H102N8O25 and a molecular weight of 1695.84 g/mol. Its IUPAC name is ethanol;ethyl 2-[[4-[[4-[2-[2-[[4-[[4-[(1-ethoxy-1-oxopropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propoxy]propoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propanoate;2-[2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]propoxy]propyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate.

Molecular Properties

Compound Nameethanol;ethyl 2-[[4-[[4-[2-[2-[[4-[[4-[(1-ethoxy-1-oxopropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propoxy]propoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propanoate;2-[2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]propoxy]propyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate
PubChem CID158106008
Molecular FormulaC90H102N8O25
Molecular Weight1695.84 g/mol
Exact Mass1694.70
IUPAC Nameethanol;ethyl 2-[[4-[[4-[2-[2-[[4-[[4-[(1-ethoxy-1-oxopropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propoxy]propoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propanoate;2-[2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]propoxy]propyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate
SMILESCC(COC(=O)Nc1ccc(Cc2ccc(N3C(=O)OC(C)C3=O)cc2)cc1)OCC(C)OC(=O)Nc1ccc(Cc2ccc(N3C(=O)OC(C)C3=O)cc2)cc1.CCO.CCOC(=O)C(C)OC(=O)Nc1ccc(Cc2ccc(NC(=O)OCC(C)OCC(C)OC(=O)Nc3ccc(Cc4ccc(NC(=O)OC(C)C(=O)OCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C46H54N4O13.C42H42N4O11.C2H6O/c1-7-57-41(51)31(5)62-45(55)49-39-21-13-35(14-22-39)25-33-9-17-37(18-10-33)47-43(53)60-27-29(3)59-28-30(4)61-44(54)48-38-19-11-34(12-20-38)26-36-15-23-40(24-16-36)50-46(56)63-32(6)42(52)58-8-2;1-25(23-54-39(49)43-33-13-5-29(6-14-33)21-31-9-17-35(18-10-31)45-37(47)27(3)56-41(45)51)53-24-26(2)55-40(50)44-34-15-7-30(8-16-34)22-32-11-19-36(20-12-32)46-38(48)28(4)57-42(46)52;1-2-3/h9-24,29-32H,7-8,25-28H2,1-6H3,(H,47,53)(H,48,54)(H,49,55)(H,50,56);5-20,25-28H,21-24H2,1-4H3,(H,43,49)(H,44,50);3H,2H2,1H3
InChIKeyFPVKXIGZKMUUBU-UHFFFAOYSA-N
XLogP15.66
TPSA414.49 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds34
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001695.84
LogP ≤ 515.66
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze ethanol;ethyl 2-[[4-[[4-[2-[2-[[4-[[4-[(1-ethoxy-1-oxopropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propoxy]propoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propanoate;2-[2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]propoxy]propyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate with MolForge

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Related Compounds

2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]ethyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate
CID 162471319
2-[[4-[[4-(butan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]propyl 2-methylprop-2-enoate
CID 142512779
2-[[4-[[4-[1-[2-[[4-[[4-(1-methoxypropan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamoyloxy]propoxy]propan-2-yloxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propyl 2-methylprop-2-enoate
CID 137397383
[3-[2,3-bis[[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamoyloxy]propoxy]-2-[[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamoyloxy]propyl] N-[4-(2,5-dioxopyrrol-1-yl)phenyl]carbamate
CID 122383114
2-hydroxyethyl N-[4-[(4-acetamidophenyl)methyl]phenyl]carbamate
CID 170966813
2-methoxyethyl N-[4-[[4-(2,5-dimethylhexan-3-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 130347168
[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate
CID 162728348
2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-nonadecafluorododecan-2-yl N-[4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-nonadecafluorododecan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 101304141
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentatriacontafluoroicosan-2-yl N-[4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentatriacontafluoroicosan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 101304149
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,26-heptatetracontafluorohexacosan-2-yl N-[4-[[4-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,26-heptatetracontafluorohexacosan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 101304155
2-methylpropyl N-[4-(2-amino-2-sulfanylideneethyl)phenyl]carbamate
CID 62302077

Frequently Asked Questions

What is the IUPAC name of ethanol;ethyl 2-[[4-[[4-[2-[2-[[4-[[4-[(1-ethoxy-1-oxopropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propoxy]propoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propanoate;2-[2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]propoxy]propyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate?
The IUPAC name of ethanol;ethyl 2-[[4-[[4-[2-[2-[[4-[[4-[(1-ethoxy-1-oxopropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propoxy]propoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propanoate;2-[2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]propoxy]propyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate (CID 158106008) is ethanol;ethyl 2-[[4-[[4-[2-[2-[[4-[[4-[(1-ethoxy-1-oxopropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propoxy]propoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propanoate;2-[2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]propoxy]propyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate.
What is the SMILES notation for ethanol;ethyl 2-[[4-[[4-[2-[2-[[4-[[4-[(1-ethoxy-1-oxopropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propoxy]propoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propanoate;2-[2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]propoxy]propyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate?
The canonical SMILES for ethanol;ethyl 2-[[4-[[4-[2-[2-[[4-[[4-[(1-ethoxy-1-oxopropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propoxy]propoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propanoate;2-[2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]propoxy]propyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate is CC(COC(=O)Nc1ccc(Cc2ccc(N3C(=O)OC(C)C3=O)cc2)cc1)OCC(C)OC(=O)Nc1ccc(Cc2ccc(N3C(=O)OC(C)C3=O)cc2)cc1.CCO.CCOC(=O)C(C)OC(=O)Nc1ccc(Cc2ccc(NC(=O)OCC(C)OCC(C)OC(=O)Nc3ccc(Cc4ccc(NC(=O)OC(C)C(=O)OCC)cc4)cc3)cc2)cc1.
What is the InChIKey of ethanol;ethyl 2-[[4-[[4-[2-[2-[[4-[[4-[(1-ethoxy-1-oxopropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propoxy]propoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propanoate;2-[2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]propoxy]propyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate?
The InChIKey is FPVKXIGZKMUUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H54N4O13.C42H42N4O11.C2H6O/c1-7-57-41(51)31(5)62-45(55)49-39-21-13-35(14-22-39)25-33-9-17-37(18-10-33)47-43(53)60-27-29(3)59-28-30(4)61-44(54)48-38-19-11-34(12-20-38)26-36-15-23-40(24-16-36)50-46(56)63-32(6)42(52)58-8-2;1-25(23-54-39(49)43-33-13-5-29(6-14-33)21-31-9-17-35(18-10-31)45-37(47)27(3)56-41(45)51)53-24-26(2)55-40(50)44-34-15-7-30(8-16-34)22-32-11-19-36(20-12-32)46-38(48)28(4)57-42(46)52;1-2-3/h9-24,29-32H,7-8,25-28H2,1-6H3,(H,47,53)(H,48,54)(H,49,55)(H,50,56);5-20,25-28H,21-24H2,1-4H3,(H,43,49)(H,44,50);3H,2H2,1H3.
What are the key properties of ethanol;ethyl 2-[[4-[[4-[2-[2-[[4-[[4-[(1-ethoxy-1-oxopropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propoxy]propoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propanoate;2-[2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]propoxy]propyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate?
ethanol;ethyl 2-[[4-[[4-[2-[2-[[4-[[4-[(1-ethoxy-1-oxopropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propoxy]propoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propanoate;2-[2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]propoxy]propyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate has a molecular weight of 1695.84 g/mol, XLogP of 15.66, 34 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;ethyl 2-[[4-[[4-[2-[2-[[4-[[4-[(1-ethoxy-1-oxopropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propoxy]propoxycarbonylamino]phenyl]methyl]phenyl]carbamoyloxy]propanoate;2-[2-[[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamoyloxy]propoxy]propyl N-[4-[[4-(5-methyl-2,4-dioxo-1,3-oxazolidin-3-yl)phenyl]methyl]phenyl]carbamate is sourced from PubChem (CID 158106008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).