2-N,5-N-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(4-methoxyphenyl)ethyl]-3,4-bis(3,4,5-trimethoxyphenyl)pyrrole-2,5-dicarboxamide

C51H53N3O11 — CID 10350709

IUPAC2-N,5-N-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(4-methoxyphenyl)ethyl]-3,4-bis(3,4,5-trimethoxyphenyl)pyrrole-2,5-dicarboxamide
SMILESCOc1ccc(/C=C/NC(=O)c2c(-c3cc(OC)c(OC)c(OC)c3)c(-c3cc(OC)c(OC)c(OC)c3)c(C(=O)N/C=C/c3ccc(OC)cc3)n2CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C51H53N3O11/c1-57-37-16-10-32(11-17-37)22-25-52-50(55)46-44(35-28-40(60-4)48(64-8)41(29-35)61-5)45(36-30-42(62-6)49(65-9)43(31-36)63-7)47(54(46)27-24-34-14-20-39(59-3)21-15-34)51(56)53-26-23-33-12-18-38(58-2)19-13-33/h10-23,25-26,28-31H,24,27H2,1-9H3,(H,52,55)(H,53,56)/b25-22+,26-23+
InChIKeyXULSZCSDRGODLO-FXMCMDAWSA-N
MW884.00 g/mol
LogP8.94
Rot. Bonds20

About 2-N,5-N-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(4-methoxyphenyl)ethyl]-3,4-bis(3,4,5-trimethoxyphenyl)pyrrole-2,5-dicarboxamide

2-N,5-N-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(4-methoxyphenyl)ethyl]-3,4-bis(3,4,5-trimethoxyphenyl)pyrrole-2,5-dicarboxamide (PubChem CID 10350709) has the molecular formula C51H53N3O11 and a molecular weight of 884.00 g/mol. Its IUPAC name is 2-N,5-N-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(4-methoxyphenyl)ethyl]-3,4-bis(3,4,5-trimethoxyphenyl)pyrrole-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(4-methoxyphenyl)ethyl]-3,4-bis(3,4,5-trimethoxyphenyl)pyrrole-2,5-dicarboxamide
PubChem CID10350709
Molecular FormulaC51H53N3O11
Molecular Weight884.00 g/mol
Exact Mass883.37
IUPAC Name2-N,5-N-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(4-methoxyphenyl)ethyl]-3,4-bis(3,4,5-trimethoxyphenyl)pyrrole-2,5-dicarboxamide
SMILESCOc1ccc(/C=C/NC(=O)c2c(-c3cc(OC)c(OC)c(OC)c3)c(-c3cc(OC)c(OC)c(OC)c3)c(C(=O)N/C=C/c3ccc(OC)cc3)n2CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C51H53N3O11/c1-57-37-16-10-32(11-17-37)22-25-52-50(55)46-44(35-28-40(60-4)48(64-8)41(29-35)61-5)45(36-30-42(62-6)49(65-9)43(31-36)63-7)47(54(46)27-24-34-14-20-39(59-3)21-15-34)51(56)53-26-23-33-12-18-38(58-2)19-13-33/h10-23,25-26,28-31H,24,27H2,1-9H3,(H,52,55)(H,53,56)/b25-22+,26-23+
InChIKeyXULSZCSDRGODLO-FXMCMDAWSA-N
XLogP8.94
TPSA146.20 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500884.00
LogP ≤ 58.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(4-methoxyphenyl)ethyl]-3,4-bis(3,4,5-trimethoxyphenyl)pyrrole-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(4-methoxyphenyl)ethyl]-3,4-bis(3,4,5-trimethoxyphenyl)pyrrole-2,5-dicarboxamide (CID 10350709) is 2-N,5-N-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(4-methoxyphenyl)ethyl]-3,4-bis(3,4,5-trimethoxyphenyl)pyrrole-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(4-methoxyphenyl)ethyl]-3,4-bis(3,4,5-trimethoxyphenyl)pyrrole-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(4-methoxyphenyl)ethyl]-3,4-bis(3,4,5-trimethoxyphenyl)pyrrole-2,5-dicarboxamide is COc1ccc(/C=C/NC(=O)c2c(-c3cc(OC)c(OC)c(OC)c3)c(-c3cc(OC)c(OC)c(OC)c3)c(C(=O)N/C=C/c3ccc(OC)cc3)n2CCc2ccc(OC)cc2)cc1.
What is the InChIKey of 2-N,5-N-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(4-methoxyphenyl)ethyl]-3,4-bis(3,4,5-trimethoxyphenyl)pyrrole-2,5-dicarboxamide?
The InChIKey is XULSZCSDRGODLO-FXMCMDAWSA-N. The full InChI is InChI=1S/C51H53N3O11/c1-57-37-16-10-32(11-17-37)22-25-52-50(55)46-44(35-28-40(60-4)48(64-8)41(29-35)61-5)45(36-30-42(62-6)49(65-9)43(31-36)63-7)47(54(46)27-24-34-14-20-39(59-3)21-15-34)51(56)53-26-23-33-12-18-38(58-2)19-13-33/h10-23,25-26,28-31H,24,27H2,1-9H3,(H,52,55)(H,53,56)/b25-22+,26-23+.
What are the key properties of 2-N,5-N-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(4-methoxyphenyl)ethyl]-3,4-bis(3,4,5-trimethoxyphenyl)pyrrole-2,5-dicarboxamide?
2-N,5-N-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(4-methoxyphenyl)ethyl]-3,4-bis(3,4,5-trimethoxyphenyl)pyrrole-2,5-dicarboxamide has a molecular weight of 884.00 g/mol, XLogP of 8.94, 20 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1-[2-(4-methoxyphenyl)ethyl]-3,4-bis(3,4,5-trimethoxyphenyl)pyrrole-2,5-dicarboxamide is sourced from PubChem (CID 10350709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).