ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-ethoxy-5-oxopentyl]-methylamino]ethyl]benzoate;ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;ethyl 2-[3,4-bis(hydroxymethyl)phenyl]-2-cyano-5-[methyl-[2-(4-propanoylphenyl)ethyl]amino]pentanoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methoxy-5-oxopentyl]-methylamino]ethyl]benzoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;methyl 2-[3,4-bis(hydroxymethyl)phenyl]-5-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]-2-methylpentanoate

C163H215N11O30 — CID 159673635

IUPACethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-ethoxy-5-oxopentyl]-methylamino]ethyl]benzoate;ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;ethyl 2-[3,4-bis(hydroxymethyl)phenyl]-2-cyano-5-[methyl-[2-(4-propanoylphenyl)ethyl]amino]pentanoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methoxy-5-oxopentyl]-methylamino]ethyl]benzoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;methyl 2-[3,4-bis(hydroxymethyl)phenyl]-5-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]-2-methylpentanoate
SMILESCCOC(=O)C(C#N)(CCCN(C)CCc1ccc(C(=O)CC)cc1)c1ccc(CO)c(CO)c1.CCOC(=O)c1ccc(CCN(C)CCCC(C#N)(C(=O)OCC)c2ccc(CO)c(CO)c2)cc1.CCOC(=O)c1ccc(CCN(C)CCCC(C#N)(c2ccc(CO)c(CO)c2)C(C)C)cc1.COC(=O)C(C)(CCCN(C)CCc1ccc(C)c(OC)c1)c1ccc(CO)c(CO)c1.COC(=O)c1cccc(CCN(C)CCCC(C#N)(C(=O)OC)c2ccc(CO)c(CO)c2)c1.COC(=O)c1cccc(CCN(C)CCCC(C#N)(c2ccc(CO)c(CO)c2)C(C)C)c1
InChIInChI=1S/C28H36N2O6.C28H36N2O5.C28H38N2O4.C27H36N2O4.C26H32N2O6.C26H37NO5/c1-4-35-26(33)22-9-7-21(8-10-22)13-16-30(3)15-6-14-28(20-29,27(34)36-5-2)25-12-11-23(18-31)24(17-25)19-32;1-4-26(33)22-9-7-21(8-10-22)13-16-30(3)15-6-14-28(20-29,27(34)35-5-2)25-12-11-23(18-31)24(17-25)19-32;1-5-34-27(33)23-9-7-22(8-10-23)13-16-30(4)15-6-14-28(20-29,21(2)3)26-12-11-24(18-31)25(17-26)19-32;1-20(2)27(19-28,25-10-9-23(17-30)24(16-25)18-31)12-6-13-29(3)14-11-21-7-5-8-22(15-21)26(32)33-4;1-28(13-10-19-6-4-7-20(14-19)24(31)33-2)12-5-11-26(18-27,25(32)34-3)23-9-8-21(16-29)22(15-23)17-30;1-19-7-8-20(15-24(19)31-4)11-14-27(3)13-6-12-26(2,25(30)32-5)23-10-9-21(17-28)22(16-23)18-29/h7-12,17,31-32H,4-6,13-16,18-19H2,1-3H3;7-12,17,31-32H,4-6,13-16,18-19H2,1-3H3;7-12,17,21,31-32H,5-6,13-16,18-19H2,1-4H3;5,7-10,15-16,20,30-31H,6,11-14,17-18H2,1-4H3;4,6-9,14-15,29-30H,5,10-13,16-17H2,1-3H3;7-10,15-16,28-29H,6,11-14,17-18H2,1-5H3
InChIKeyMUHWBNBRUADQAB-UHFFFAOYSA-N
MW2808.56 g/mol
LogP20.44
Rot. Bonds77

About ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-ethoxy-5-oxopentyl]-methylamino]ethyl]benzoate;ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;ethyl 2-[3,4-bis(hydroxymethyl)phenyl]-2-cyano-5-[methyl-[2-(4-propanoylphenyl)ethyl]amino]pentanoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methoxy-5-oxopentyl]-methylamino]ethyl]benzoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;methyl 2-[3,4-bis(hydroxymethyl)phenyl]-5-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]-2-methylpentanoate

ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-ethoxy-5-oxopentyl]-methylamino]ethyl]benzoate;ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;ethyl 2-[3,4-bis(hydroxymethyl)phenyl]-2-cyano-5-[methyl-[2-(4-propanoylphenyl)ethyl]amino]pentanoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methoxy-5-oxopentyl]-methylamino]ethyl]benzoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;methyl 2-[3,4-bis(hydroxymethyl)phenyl]-5-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]-2-methylpentanoate (PubChem CID 159673635) has the molecular formula C163H215N11O30 and a molecular weight of 2808.56 g/mol. Its IUPAC name is ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-ethoxy-5-oxopentyl]-methylamino]ethyl]benzoate;ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;ethyl 2-[3,4-bis(hydroxymethyl)phenyl]-2-cyano-5-[methyl-[2-(4-propanoylphenyl)ethyl]amino]pentanoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methoxy-5-oxopentyl]-methylamino]ethyl]benzoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;methyl 2-[3,4-bis(hydroxymethyl)phenyl]-5-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-ethoxy-5-oxopentyl]-methylamino]ethyl]benzoate;ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;ethyl 2-[3,4-bis(hydroxymethyl)phenyl]-2-cyano-5-[methyl-[2-(4-propanoylphenyl)ethyl]amino]pentanoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methoxy-5-oxopentyl]-methylamino]ethyl]benzoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;methyl 2-[3,4-bis(hydroxymethyl)phenyl]-5-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]-2-methylpentanoate
PubChem CID159673635
Molecular FormulaC163H215N11O30
Molecular Weight2808.56 g/mol
Exact Mass2806.56
IUPAC Nameethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-ethoxy-5-oxopentyl]-methylamino]ethyl]benzoate;ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;ethyl 2-[3,4-bis(hydroxymethyl)phenyl]-2-cyano-5-[methyl-[2-(4-propanoylphenyl)ethyl]amino]pentanoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methoxy-5-oxopentyl]-methylamino]ethyl]benzoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;methyl 2-[3,4-bis(hydroxymethyl)phenyl]-5-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]-2-methylpentanoate
SMILESCCOC(=O)C(C#N)(CCCN(C)CCc1ccc(C(=O)CC)cc1)c1ccc(CO)c(CO)c1.CCOC(=O)c1ccc(CCN(C)CCCC(C#N)(C(=O)OCC)c2ccc(CO)c(CO)c2)cc1.CCOC(=O)c1ccc(CCN(C)CCCC(C#N)(c2ccc(CO)c(CO)c2)C(C)C)cc1.COC(=O)C(C)(CCCN(C)CCc1ccc(C)c(OC)c1)c1ccc(CO)c(CO)c1.COC(=O)c1cccc(CCN(C)CCCC(C#N)(C(=O)OC)c2ccc(CO)c(CO)c2)c1.COC(=O)c1cccc(CCN(C)CCCC(C#N)(c2ccc(CO)c(CO)c2)C(C)C)c1
InChIInChI=1S/C28H36N2O6.C28H36N2O5.C28H38N2O4.C27H36N2O4.C26H32N2O6.C26H37NO5/c1-4-35-26(33)22-9-7-21(8-10-22)13-16-30(3)15-6-14-28(20-29,27(34)36-5-2)25-12-11-23(18-31)24(17-25)19-32;1-4-26(33)22-9-7-21(8-10-22)13-16-30(3)15-6-14-28(20-29,27(34)35-5-2)25-12-11-23(18-31)24(17-25)19-32;1-5-34-27(33)23-9-7-22(8-10-23)13-16-30(4)15-6-14-28(20-29,21(2)3)26-12-11-24(18-31)25(17-26)19-32;1-20(2)27(19-28,25-10-9-23(17-30)24(16-25)18-31)12-6-13-29(3)14-11-21-7-5-8-22(15-21)26(32)33-4;1-28(13-10-19-6-4-7-20(14-19)24(31)33-2)12-5-11-26(18-27,25(32)34-3)23-9-8-21(16-29)22(15-23)17-30;1-19-7-8-20(15-24(19)31-4)11-14-27(3)13-6-12-26(2,25(30)32-5)23-10-9-21(17-28)22(16-23)18-29/h7-12,17,31-32H,4-6,13-16,18-19H2,1-3H3;7-12,17,31-32H,4-6,13-16,18-19H2,1-3H3;7-12,17,21,31-32H,5-6,13-16,18-19H2,1-4H3;5,7-10,15-16,20,30-31H,6,11-14,17-18H2,1-4H3;4,6-9,14-15,29-30H,5,10-13,16-17H2,1-3H3;7-10,15-16,28-29H,6,11-14,17-18H2,1-5H3
InChIKeyMUHWBNBRUADQAB-UHFFFAOYSA-N
XLogP20.44
TPSA617.85 Ų
H-Bond Donors12
H-Bond Acceptors41
Rotatable Bonds77
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002808.56
LogP ≤ 520.44
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-ethoxy-5-oxopentyl]-methylamino]ethyl]benzoate;ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;ethyl 2-[3,4-bis(hydroxymethyl)phenyl]-2-cyano-5-[methyl-[2-(4-propanoylphenyl)ethyl]amino]pentanoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methoxy-5-oxopentyl]-methylamino]ethyl]benzoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;methyl 2-[3,4-bis(hydroxymethyl)phenyl]-5-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]-2-methylpentanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-ethoxy-5-oxopentyl]-methylamino]ethyl]benzoate;ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;ethyl 2-[3,4-bis(hydroxymethyl)phenyl]-2-cyano-5-[methyl-[2-(4-propanoylphenyl)ethyl]amino]pentanoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methoxy-5-oxopentyl]-methylamino]ethyl]benzoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;methyl 2-[3,4-bis(hydroxymethyl)phenyl]-5-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]-2-methylpentanoate?
The IUPAC name of ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-ethoxy-5-oxopentyl]-methylamino]ethyl]benzoate;ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;ethyl 2-[3,4-bis(hydroxymethyl)phenyl]-2-cyano-5-[methyl-[2-(4-propanoylphenyl)ethyl]amino]pentanoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methoxy-5-oxopentyl]-methylamino]ethyl]benzoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;methyl 2-[3,4-bis(hydroxymethyl)phenyl]-5-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]-2-methylpentanoate (CID 159673635) is ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-ethoxy-5-oxopentyl]-methylamino]ethyl]benzoate;ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;ethyl 2-[3,4-bis(hydroxymethyl)phenyl]-2-cyano-5-[methyl-[2-(4-propanoylphenyl)ethyl]amino]pentanoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methoxy-5-oxopentyl]-methylamino]ethyl]benzoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;methyl 2-[3,4-bis(hydroxymethyl)phenyl]-5-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]-2-methylpentanoate.
What is the SMILES notation for ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-ethoxy-5-oxopentyl]-methylamino]ethyl]benzoate;ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;ethyl 2-[3,4-bis(hydroxymethyl)phenyl]-2-cyano-5-[methyl-[2-(4-propanoylphenyl)ethyl]amino]pentanoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methoxy-5-oxopentyl]-methylamino]ethyl]benzoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;methyl 2-[3,4-bis(hydroxymethyl)phenyl]-5-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]-2-methylpentanoate?
The canonical SMILES for ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-ethoxy-5-oxopentyl]-methylamino]ethyl]benzoate;ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;ethyl 2-[3,4-bis(hydroxymethyl)phenyl]-2-cyano-5-[methyl-[2-(4-propanoylphenyl)ethyl]amino]pentanoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methoxy-5-oxopentyl]-methylamino]ethyl]benzoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;methyl 2-[3,4-bis(hydroxymethyl)phenyl]-5-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]-2-methylpentanoate is CCOC(=O)C(C#N)(CCCN(C)CCc1ccc(C(=O)CC)cc1)c1ccc(CO)c(CO)c1.CCOC(=O)c1ccc(CCN(C)CCCC(C#N)(C(=O)OCC)c2ccc(CO)c(CO)c2)cc1.CCOC(=O)c1ccc(CCN(C)CCCC(C#N)(c2ccc(CO)c(CO)c2)C(C)C)cc1.COC(=O)C(C)(CCCN(C)CCc1ccc(C)c(OC)c1)c1ccc(CO)c(CO)c1.COC(=O)c1cccc(CCN(C)CCCC(C#N)(C(=O)OC)c2ccc(CO)c(CO)c2)c1.COC(=O)c1cccc(CCN(C)CCCC(C#N)(c2ccc(CO)c(CO)c2)C(C)C)c1.
What is the InChIKey of ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-ethoxy-5-oxopentyl]-methylamino]ethyl]benzoate;ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;ethyl 2-[3,4-bis(hydroxymethyl)phenyl]-2-cyano-5-[methyl-[2-(4-propanoylphenyl)ethyl]amino]pentanoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methoxy-5-oxopentyl]-methylamino]ethyl]benzoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;methyl 2-[3,4-bis(hydroxymethyl)phenyl]-5-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]-2-methylpentanoate?
The InChIKey is MUHWBNBRUADQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O6.C28H36N2O5.C28H38N2O4.C27H36N2O4.C26H32N2O6.C26H37NO5/c1-4-35-26(33)22-9-7-21(8-10-22)13-16-30(3)15-6-14-28(20-29,27(34)36-5-2)25-12-11-23(18-31)24(17-25)19-32;1-4-26(33)22-9-7-21(8-10-22)13-16-30(3)15-6-14-28(20-29,27(34)35-5-2)25-12-11-23(18-31)24(17-25)19-32;1-5-34-27(33)23-9-7-22(8-10-23)13-16-30(4)15-6-14-28(20-29,21(2)3)26-12-11-24(18-31)25(17-26)19-32;1-20(2)27(19-28,25-10-9-23(17-30)24(16-25)18-31)12-6-13-29(3)14-11-21-7-5-8-22(15-21)26(32)33-4;1-28(13-10-19-6-4-7-20(14-19)24(31)33-2)12-5-11-26(18-27,25(32)34-3)23-9-8-21(16-29)22(15-23)17-30;1-19-7-8-20(15-24(19)31-4)11-14-27(3)13-6-12-26(2,25(30)32-5)23-10-9-21(17-28)22(16-23)18-29/h7-12,17,31-32H,4-6,13-16,18-19H2,1-3H3;7-12,17,31-32H,4-6,13-16,18-19H2,1-3H3;7-12,17,21,31-32H,5-6,13-16,18-19H2,1-4H3;5,7-10,15-16,20,30-31H,6,11-14,17-18H2,1-4H3;4,6-9,14-15,29-30H,5,10-13,16-17H2,1-3H3;7-10,15-16,28-29H,6,11-14,17-18H2,1-5H3.
What are the key properties of ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-ethoxy-5-oxopentyl]-methylamino]ethyl]benzoate;ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;ethyl 2-[3,4-bis(hydroxymethyl)phenyl]-2-cyano-5-[methyl-[2-(4-propanoylphenyl)ethyl]amino]pentanoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methoxy-5-oxopentyl]-methylamino]ethyl]benzoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;methyl 2-[3,4-bis(hydroxymethyl)phenyl]-5-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]-2-methylpentanoate?
ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-ethoxy-5-oxopentyl]-methylamino]ethyl]benzoate;ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;ethyl 2-[3,4-bis(hydroxymethyl)phenyl]-2-cyano-5-[methyl-[2-(4-propanoylphenyl)ethyl]amino]pentanoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methoxy-5-oxopentyl]-methylamino]ethyl]benzoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;methyl 2-[3,4-bis(hydroxymethyl)phenyl]-5-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]-2-methylpentanoate has a molecular weight of 2808.56 g/mol, XLogP of 20.44, 77 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-ethoxy-5-oxopentyl]-methylamino]ethyl]benzoate;ethyl 4-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;ethyl 2-[3,4-bis(hydroxymethyl)phenyl]-2-cyano-5-[methyl-[2-(4-propanoylphenyl)ethyl]amino]pentanoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methoxy-5-oxopentyl]-methylamino]ethyl]benzoate;methyl 3-[2-[[4-[3,4-bis(hydroxymethyl)phenyl]-4-cyano-5-methylhexyl]-methylamino]ethyl]benzoate;methyl 2-[3,4-bis(hydroxymethyl)phenyl]-5-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]-2-methylpentanoate is sourced from PubChem (CID 159673635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).