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-methoxy-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-methylhexyl]-methylamino]ethyl]benzoate;1-O-methyl 3-O-propan-2-yl 2-[3,4-bis(hydroxymethyl)phenyl]-2-[3-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]propyl]propanedioate

C167H221N11O32 — CID 159393827

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-methoxy-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-methylhexyl]-methylamino]ethyl]benzoate;1-O-methyl 3-O-propan-2-yl 2-[3,4-bis(hydroxymethyl)phenyl]-2-[3-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]propyl]propanedioate
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)OC)c2ccc(CO)c(CO)c2)cc1.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(CCCN(C)CCc1ccc(C)c(OC)c1)(C(=O)OC(C)C)c1ccc(CO)c(CO)c1.COC(=O)c1cccc(CCN(C)CCCC(C#N)(c2ccc(CO)c(CO)c2)C(C)C)c1
InChIInChI=1S/C29H41NO7.C28H36N2O6.C28H36N2O5.C28H38N2O4.C27H34N2O6.C27H36N2O4/c1-20(2)37-28(34)29(27(33)36-6,25-11-10-23(18-31)24(17-25)19-32)13-7-14-30(4)15-12-22-9-8-21(3)26(16-22)35-5;1-4-35-26(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;1-4-35-25(32)21-8-6-20(7-9-21)12-15-29(2)14-5-13-27(19-28,26(33)34-3)24-11-10-22(17-30)23(16-24)18-31;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/h8-11,16-17,20,31-32H,7,12-15,18-19H2,1-6H3;7-12,17,31-32H,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;6-11,16,30-31H,4-5,12-15,17-18H2,1-3H3;5,7-10,15-16,20,30-31H,6,11-14,17-18H2,1-4H3
InChIKeyLMLOQKRWFRIGAS-UHFFFAOYSA-N
MW2894.65 g/mol
LogP20.76
Rot. Bonds80

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-methoxy-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-methylhexyl]-methylamino]ethyl]benzoate;1-O-methyl 3-O-propan-2-yl 2-[3,4-bis(hydroxymethyl)phenyl]-2-[3-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]propyl]propanedioate

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-methoxy-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-methylhexyl]-methylamino]ethyl]benzoate;1-O-methyl 3-O-propan-2-yl 2-[3,4-bis(hydroxymethyl)phenyl]-2-[3-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]propyl]propanedioate (PubChem CID 159393827) has the molecular formula C167H221N11O32 and a molecular weight of 2894.65 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-methoxy-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-methylhexyl]-methylamino]ethyl]benzoate;1-O-methyl 3-O-propan-2-yl 2-[3,4-bis(hydroxymethyl)phenyl]-2-[3-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]propyl]propanedioate.

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-methoxy-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-methylhexyl]-methylamino]ethyl]benzoate;1-O-methyl 3-O-propan-2-yl 2-[3,4-bis(hydroxymethyl)phenyl]-2-[3-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]propyl]propanedioate
PubChem CID159393827
Molecular FormulaC167H221N11O32
Molecular Weight2894.65 g/mol
Exact Mass2892.60
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-methoxy-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-methylhexyl]-methylamino]ethyl]benzoate;1-O-methyl 3-O-propan-2-yl 2-[3,4-bis(hydroxymethyl)phenyl]-2-[3-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]propyl]propanedioate
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)OC)c2ccc(CO)c(CO)c2)cc1.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(CCCN(C)CCc1ccc(C)c(OC)c1)(C(=O)OC(C)C)c1ccc(CO)c(CO)c1.COC(=O)c1cccc(CCN(C)CCCC(C#N)(c2ccc(CO)c(CO)c2)C(C)C)c1
InChIInChI=1S/C29H41NO7.C28H36N2O6.C28H36N2O5.C28H38N2O4.C27H34N2O6.C27H36N2O4/c1-20(2)37-28(34)29(27(33)36-6,25-11-10-23(18-31)24(17-25)19-32)13-7-14-30(4)15-12-22-9-8-21(3)26(16-22)35-5;1-4-35-26(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;1-4-35-25(32)21-8-6-20(7-9-21)12-15-29(2)14-5-13-27(19-28,26(33)34-3)24-11-10-22(17-30)23(16-24)18-31;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/h8-11,16-17,20,31-32H,7,12-15,18-19H2,1-6H3;7-12,17,31-32H,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;6-11,16,30-31H,4-5,12-15,17-18H2,1-3H3;5,7-10,15-16,20,30-31H,6,11-14,17-18H2,1-4H3
InChIKeyLMLOQKRWFRIGAS-UHFFFAOYSA-N
XLogP20.76
TPSA644.15 Ų
H-Bond Donors12
H-Bond Acceptors43
Rotatable Bonds80
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002894.65
LogP ≤ 520.76
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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-methoxy-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-methylhexyl]-methylamino]ethyl]benzoate;1-O-methyl 3-O-propan-2-yl 2-[3,4-bis(hydroxymethyl)phenyl]-2-[3-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]propyl]propanedioate with MolForge

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

Launch Full Analysis

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-methoxy-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-methylhexyl]-methylamino]ethyl]benzoate;1-O-methyl 3-O-propan-2-yl 2-[3,4-bis(hydroxymethyl)phenyl]-2-[3-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]propyl]propanedioate?
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-methoxy-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-methylhexyl]-methylamino]ethyl]benzoate;1-O-methyl 3-O-propan-2-yl 2-[3,4-bis(hydroxymethyl)phenyl]-2-[3-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]propyl]propanedioate (CID 159393827) 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-methoxy-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-methylhexyl]-methylamino]ethyl]benzoate;1-O-methyl 3-O-propan-2-yl 2-[3,4-bis(hydroxymethyl)phenyl]-2-[3-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]propyl]propanedioate.
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-methoxy-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-methylhexyl]-methylamino]ethyl]benzoate;1-O-methyl 3-O-propan-2-yl 2-[3,4-bis(hydroxymethyl)phenyl]-2-[3-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]propyl]propanedioate?
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-methoxy-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-methylhexyl]-methylamino]ethyl]benzoate;1-O-methyl 3-O-propan-2-yl 2-[3,4-bis(hydroxymethyl)phenyl]-2-[3-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]propyl]propanedioate 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)OC)c2ccc(CO)c(CO)c2)cc1.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(CCCN(C)CCc1ccc(C)c(OC)c1)(C(=O)OC(C)C)c1ccc(CO)c(CO)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-methoxy-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-methylhexyl]-methylamino]ethyl]benzoate;1-O-methyl 3-O-propan-2-yl 2-[3,4-bis(hydroxymethyl)phenyl]-2-[3-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]propyl]propanedioate?
The InChIKey is LMLOQKRWFRIGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NO7.C28H36N2O6.C28H36N2O5.C28H38N2O4.C27H34N2O6.C27H36N2O4/c1-20(2)37-28(34)29(27(33)36-6,25-11-10-23(18-31)24(17-25)19-32)13-7-14-30(4)15-12-22-9-8-21(3)26(16-22)35-5;1-4-35-26(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;1-4-35-25(32)21-8-6-20(7-9-21)12-15-29(2)14-5-13-27(19-28,26(33)34-3)24-11-10-22(17-30)23(16-24)18-31;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/h8-11,16-17,20,31-32H,7,12-15,18-19H2,1-6H3;7-12,17,31-32H,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;6-11,16,30-31H,4-5,12-15,17-18H2,1-3H3;5,7-10,15-16,20,30-31H,6,11-14,17-18H2,1-4H3.
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-methoxy-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-methylhexyl]-methylamino]ethyl]benzoate;1-O-methyl 3-O-propan-2-yl 2-[3,4-bis(hydroxymethyl)phenyl]-2-[3-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]propyl]propanedioate?
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-methoxy-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-methylhexyl]-methylamino]ethyl]benzoate;1-O-methyl 3-O-propan-2-yl 2-[3,4-bis(hydroxymethyl)phenyl]-2-[3-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]propyl]propanedioate has a molecular weight of 2894.65 g/mol, XLogP of 20.76, 80 rotatable bonds, 12 hydrogen bond donors, and 43 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-methoxy-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-methylhexyl]-methylamino]ethyl]benzoate;1-O-methyl 3-O-propan-2-yl 2-[3,4-bis(hydroxymethyl)phenyl]-2-[3-[2-(3-methoxy-4-methylphenyl)ethyl-methylamino]propyl]propanedioate is sourced from PubChem (CID 159393827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).