ethyl 2-[[2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[(E)-2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]phenyl]anilino]phenyl]ethenyl]phenyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate

C70H70N2O16 — CID 58403196

IUPACethyl 2-[[2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[(E)-2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]phenyl]anilino]phenyl]ethenyl]phenyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate
SMILESC=C(COC(=O)Cc1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccc(CC(=O)OCC(=C)C(=O)OCC)cc4)c4ccc(CC(=O)OCC(=C)C(=O)OCC)cc4)cc3)cc2)c2ccc(CC(=O)OCC(=C)C(=O)OCC)cc2)cc1)C(=O)OCC
InChIInChI=1S/C70H70N2O16/c1-9-81-67(77)47(5)43-85-63(73)39-53-19-31-59(32-20-53)71(60-33-21-54(22-34-60)40-64(74)86-44-48(6)68(78)82-10-2)57-27-15-51(16-28-57)13-14-52-17-29-58(30-18-52)72(61-35-23-55(24-36-61)41-65(75)87-45-49(7)69(79)83-11-3)62-37-25-56(26-38-62)42-66(76)88-46-50(8)70(80)84-12-4/h13-38H,5-12,39-46H2,1-4H3/b14-13+
InChIKeyMOUMTTNVWHNZCP-BUHFOSPRSA-N
MW1195.33 g/mol
LogP11.62
Rot. Bonds32

About ethyl 2-[[2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[(E)-2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]phenyl]anilino]phenyl]ethenyl]phenyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate

ethyl 2-[[2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[(E)-2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]phenyl]anilino]phenyl]ethenyl]phenyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate (PubChem CID 58403196) has the molecular formula C70H70N2O16 and a molecular weight of 1195.33 g/mol. Its IUPAC name is ethyl 2-[[2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[(E)-2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]phenyl]anilino]phenyl]ethenyl]phenyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[(E)-2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]phenyl]anilino]phenyl]ethenyl]phenyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate
PubChem CID58403196
Molecular FormulaC70H70N2O16
Molecular Weight1195.33 g/mol
Exact Mass1194.47
IUPAC Nameethyl 2-[[2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[(E)-2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]phenyl]anilino]phenyl]ethenyl]phenyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate
SMILESC=C(COC(=O)Cc1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccc(CC(=O)OCC(=C)C(=O)OCC)cc4)c4ccc(CC(=O)OCC(=C)C(=O)OCC)cc4)cc3)cc2)c2ccc(CC(=O)OCC(=C)C(=O)OCC)cc2)cc1)C(=O)OCC
InChIInChI=1S/C70H70N2O16/c1-9-81-67(77)47(5)43-85-63(73)39-53-19-31-59(32-20-53)71(60-33-21-54(22-34-60)40-64(74)86-44-48(6)68(78)82-10-2)57-27-15-51(16-28-57)13-14-52-17-29-58(30-18-52)72(61-35-23-55(24-36-61)41-65(75)87-45-49(7)69(79)83-11-3)62-37-25-56(26-38-62)42-66(76)88-46-50(8)70(80)84-12-4/h13-38H,5-12,39-46H2,1-4H3/b14-13+
InChIKeyMOUMTTNVWHNZCP-BUHFOSPRSA-N
XLogP11.62
TPSA216.88 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds32
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001195.33
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze ethyl 2-[[2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[(E)-2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]phenyl]anilino]phenyl]ethenyl]phenyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate with MolForge

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Related Compounds

4-ethenyl-N-(4-ethenylphenyl)-N-(4-phenylphenyl)aniline;(4-ethenylphenyl)methyl 3-[4-(N-[4-[4-(N-[4-[3-[(4-ethenylphenyl)methoxy]-3-oxopropyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]propanoate;ethyl 2-[[2-[4-(N-[4-[(E)-2-[4-(N-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]phenyl]-4-methylanilino)phenyl]ethenyl]phenyl]-4-methylanilino)phenyl]acetyl]oxymethyl]prop-2-enoate;N-(4-phenylphenyl)-4-(prop-2-enoxymethyl)-N-[4-(prop-2-enoxymethyl)phenyl]aniline
CID 162113923
ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031
ethyl 2-[4-[(E)-2-[3-[(E)-2-[4-(2-ethoxy-2-oxoethyl)phenyl]ethenyl]-5-[(E)-2-[4-(2-oxopropyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]acetate
CID 135273843
2-ethoxycarbonylprop-2-enyl 4-[N-(3,4-dimethylphenyl)-4-[3-(2-ethoxycarbonylprop-2-enoxy)-3-oxopropyl]anilino]benzoate
CID 58571427
methyl 2-[[2-[4-[N-[9,9-dimethyl-7-[2-(2-methylprop-2-enoxy)-2-oxoethyl]fluoren-2-yl]-4-[2-(2-methylprop-2-enoxy)-2-oxoethyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate
CID 58385648
ethyl 2-(4-methanimidoylphenyl)acetate
CID 86679361
ethyl 2-[4-[butyl(methyl)amino]phenyl]acetate
CID 90146756
ethyl 2-(4-isocyanophenyl)acetate
CID 20780504
ethyl 2-phenylacetate
CID 7590
[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methanol;[4-(4-methyl-N-[4-[(E)-2-[4-(4-methyl-N-[4-(prop-2-enoyloxymethyl)phenyl]anilino)phenyl]ethenyl]phenyl]anilino)phenyl]methyl prop-2-enoate;prop-2-enoyl chloride
CID 90823968
CID 58447889
CID 58447889
[2-(diethylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 71820778

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[(E)-2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]phenyl]anilino]phenyl]ethenyl]phenyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[(E)-2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]phenyl]anilino]phenyl]ethenyl]phenyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate (CID 58403196) is ethyl 2-[[2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[(E)-2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]phenyl]anilino]phenyl]ethenyl]phenyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[(E)-2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]phenyl]anilino]phenyl]ethenyl]phenyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[(E)-2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]phenyl]anilino]phenyl]ethenyl]phenyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate is C=C(COC(=O)Cc1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccc(CC(=O)OCC(=C)C(=O)OCC)cc4)c4ccc(CC(=O)OCC(=C)C(=O)OCC)cc4)cc3)cc2)c2ccc(CC(=O)OCC(=C)C(=O)OCC)cc2)cc1)C(=O)OCC.
What is the InChIKey of ethyl 2-[[2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[(E)-2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]phenyl]anilino]phenyl]ethenyl]phenyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate?
The InChIKey is MOUMTTNVWHNZCP-BUHFOSPRSA-N. The full InChI is InChI=1S/C70H70N2O16/c1-9-81-67(77)47(5)43-85-63(73)39-53-19-31-59(32-20-53)71(60-33-21-54(22-34-60)40-64(74)86-44-48(6)68(78)82-10-2)57-27-15-51(16-28-57)13-14-52-17-29-58(30-18-52)72(61-35-23-55(24-36-61)41-65(75)87-45-49(7)69(79)83-11-3)62-37-25-56(26-38-62)42-66(76)88-46-50(8)70(80)84-12-4/h13-38H,5-12,39-46H2,1-4H3/b14-13+.
What are the key properties of ethyl 2-[[2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[(E)-2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]phenyl]anilino]phenyl]ethenyl]phenyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate?
ethyl 2-[[2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[(E)-2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]phenyl]anilino]phenyl]ethenyl]phenyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate has a molecular weight of 1195.33 g/mol, XLogP of 11.62, 32 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[(E)-2-[4-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]-N-[4-[2-(2-ethoxycarbonylprop-2-enoxy)-2-oxoethyl]phenyl]anilino]phenyl]ethenyl]phenyl]anilino]phenyl]acetyl]oxymethyl]prop-2-enoate is sourced from PubChem (CID 58403196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).