2-[[4-[1,1-bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]ethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;2-[[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane;2-[[4-[1-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]-1-phenylethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate

C104H111N5O26 — CID 158905658

IUPAC2-[[4-[1,1-bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]ethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;2-[[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane;2-[[4-[1-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]-1-phenylethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)Oc1ccc(C(C)(c2ccc(OC(=O)NCCOC(=O)C(=C)C)cc2)c2ccc(OC(=O)NCCOC(=O)C(=C)C)cc2)cc1.C=C(C)C(=O)OCCNC(=O)Oc1ccc(C(C)(c2ccccc2)c2ccc(OC(=O)NCCOC(=O)C(=C)C)cc2)cc1.CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C41H45N3O12.C34H36N2O8.C29H30O6/c1-26(2)35(45)51-23-20-42-38(48)54-32-14-8-29(9-15-32)41(7,30-10-16-33(17-11-30)55-39(49)43-21-24-52-36(46)27(3)4)31-12-18-34(19-13-31)56-40(50)44-22-25-53-37(47)28(5)6;1-23(2)30(37)41-21-19-35-32(39)43-28-15-11-26(12-16-28)34(5,25-9-7-6-8-10-25)27-13-17-29(18-14-27)44-33(40)36-20-22-42-31(38)24(3)4;1-29(20-2-8-23(9-3-20)30-14-26-17-33-26,21-4-10-24(11-5-21)31-15-27-18-34-27)22-6-12-25(13-7-22)32-16-28-19-35-28/h8-19H,1,3,5,20-25H2,2,4,6-7H3,(H,42,48)(H,43,49)(H,44,50);6-18H,1,3,19-22H2,2,4-5H3,(H,35,39)(H,36,40);2-13,26-28H,14-19H2,1H3
InChIKeyJFZYFVNPHPRTMT-UHFFFAOYSA-N
MW1847.04 g/mol
LogP15.49
Rot. Bonds43

About 2-[[4-[1,1-bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]ethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;2-[[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane;2-[[4-[1-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]-1-phenylethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate

2-[[4-[1,1-bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]ethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;2-[[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane;2-[[4-[1-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]-1-phenylethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate (PubChem CID 158905658) has the molecular formula C104H111N5O26 and a molecular weight of 1847.04 g/mol. Its IUPAC name is 2-[[4-[1,1-bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]ethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;2-[[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane;2-[[4-[1-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]-1-phenylethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[4-[1,1-bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]ethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;2-[[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane;2-[[4-[1-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]-1-phenylethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate
PubChem CID158905658
Molecular FormulaC104H111N5O26
Molecular Weight1847.04 g/mol
Exact Mass1845.75
IUPAC Name2-[[4-[1,1-bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]ethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;2-[[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane;2-[[4-[1-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]-1-phenylethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)Oc1ccc(C(C)(c2ccc(OC(=O)NCCOC(=O)C(=C)C)cc2)c2ccc(OC(=O)NCCOC(=O)C(=C)C)cc2)cc1.C=C(C)C(=O)OCCNC(=O)Oc1ccc(C(C)(c2ccccc2)c2ccc(OC(=O)NCCOC(=O)C(=C)C)cc2)cc1.CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C41H45N3O12.C34H36N2O8.C29H30O6/c1-26(2)35(45)51-23-20-42-38(48)54-32-14-8-29(9-15-32)41(7,30-10-16-33(17-11-30)55-39(49)43-21-24-52-36(46)27(3)4)31-12-18-34(19-13-31)56-40(50)44-22-25-53-37(47)28(5)6;1-23(2)30(37)41-21-19-35-32(39)43-28-15-11-26(12-16-28)34(5,25-9-7-6-8-10-25)27-13-17-29(18-14-27)44-33(40)36-20-22-42-31(38)24(3)4;1-29(20-2-8-23(9-3-20)30-14-26-17-33-26,21-4-10-24(11-5-21)31-15-27-18-34-27)22-6-12-25(13-7-22)32-16-28-19-35-28/h8-19H,1,3,5,20-25H2,2,4,6-7H3,(H,42,48)(H,43,49)(H,44,50);6-18H,1,3,19-22H2,2,4-5H3,(H,35,39)(H,36,40);2-13,26-28H,14-19H2,1H3
InChIKeyJFZYFVNPHPRTMT-UHFFFAOYSA-N
XLogP15.49
TPSA388.43 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds43
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001847.04
LogP ≤ 515.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[[4-[1,1-bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]ethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;2-[[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane;2-[[4-[1-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]-1-phenylethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 164955421
CID 164955421
2-[2-[4-[1-(4-cyclohexylphenyl)-1-[4-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethoxy]phenyl]ethyl]phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 145446970
2-[2-[4-[2-[4-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 59378635
1,3-bis[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]-1-phenylethyl]phenoxy]propan-2-ol
CID 118685638
2-[[4-[[4-[bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]methyl]phenyl]-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]methyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 90224731
2-[(4-ethylphenoxy)carbonylamino]ethyl 2-methylprop-2-enoate
CID 143902345
2-[[4-[1-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]-3-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]phenyl]-1-(4-phenylphenyl)ethyl]-2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 145446938
2-[[4-[1,1-bis[4-[4-(oxiran-2-ylmethoxy)phenyl]phenyl]ethyl]phenoxy]methyl]oxirane
CID 90352627
2-[[4-(2,4,5-trimethylhexan-3-yl)phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 156746803
2-[[4-(4-methyl-3-propan-2-ylpent-2-en-2-yl)phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 156746830
2-[[4-(methylsulfamoyl)phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate
CID 59974715
2-[[(3aR,6R,6aR)-6-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 90287202

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1,1-bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]ethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;2-[[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane;2-[[4-[1-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]-1-phenylethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[4-[1,1-bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]ethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;2-[[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane;2-[[4-[1-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]-1-phenylethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate (CID 158905658) is 2-[[4-[1,1-bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]ethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;2-[[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane;2-[[4-[1-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]-1-phenylethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[4-[1,1-bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]ethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;2-[[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane;2-[[4-[1-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]-1-phenylethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[4-[1,1-bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]ethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;2-[[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane;2-[[4-[1-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]-1-phenylethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)Oc1ccc(C(C)(c2ccc(OC(=O)NCCOC(=O)C(=C)C)cc2)c2ccc(OC(=O)NCCOC(=O)C(=C)C)cc2)cc1.C=C(C)C(=O)OCCNC(=O)Oc1ccc(C(C)(c2ccccc2)c2ccc(OC(=O)NCCOC(=O)C(=C)C)cc2)cc1.CC(c1ccc(OCC2CO2)cc1)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1.
What is the InChIKey of 2-[[4-[1,1-bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]ethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;2-[[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane;2-[[4-[1-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]-1-phenylethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is JFZYFVNPHPRTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H45N3O12.C34H36N2O8.C29H30O6/c1-26(2)35(45)51-23-20-42-38(48)54-32-14-8-29(9-15-32)41(7,30-10-16-33(17-11-30)55-39(49)43-21-24-52-36(46)27(3)4)31-12-18-34(19-13-31)56-40(50)44-22-25-53-37(47)28(5)6;1-23(2)30(37)41-21-19-35-32(39)43-28-15-11-26(12-16-28)34(5,25-9-7-6-8-10-25)27-13-17-29(18-14-27)44-33(40)36-20-22-42-31(38)24(3)4;1-29(20-2-8-23(9-3-20)30-14-26-17-33-26,21-4-10-24(11-5-21)31-15-27-18-34-27)22-6-12-25(13-7-22)32-16-28-19-35-28/h8-19H,1,3,5,20-25H2,2,4,6-7H3,(H,42,48)(H,43,49)(H,44,50);6-18H,1,3,19-22H2,2,4-5H3,(H,35,39)(H,36,40);2-13,26-28H,14-19H2,1H3.
What are the key properties of 2-[[4-[1,1-bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]ethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;2-[[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane;2-[[4-[1-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]-1-phenylethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate?
2-[[4-[1,1-bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]ethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;2-[[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane;2-[[4-[1-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]-1-phenylethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 1847.04 g/mol, XLogP of 15.49, 43 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1,1-bis[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]ethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate;2-[[4-[1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane;2-[[4-[1-[4-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]phenyl]-1-phenylethyl]phenoxy]carbonylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 158905658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).