5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide

C23H26N2O5 — CID 3821121

IUPAC5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(N)=O)c(C)n1Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H26N2O5/c1-14-17(23(24)26)12-18(16-8-6-7-9-19(16)27-2)25(14)13-15-10-20(28-3)22(30-5)21(11-15)29-4/h6-12H,13H2,1-5H3,(H2,24,26)
InChIKeyVBIFJWINVZCTKW-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.65
Rot. Bonds8

About 5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide

5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide (PubChem CID 3821121) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
PubChem CID3821121
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(N)=O)c(C)n1Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H26N2O5/c1-14-17(23(24)26)12-18(16-8-6-7-9-19(16)27-2)25(14)13-15-10-20(28-3)22(30-5)21(11-15)29-4/h6-12H,13H2,1-5H3,(H2,24,26)
InChIKeyVBIFJWINVZCTKW-UHFFFAOYSA-N
XLogP3.65
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide (CID 3821121) is 5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide is COc1ccccc1-c1cc(C(N)=O)c(C)n1Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide?
The InChIKey is VBIFJWINVZCTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-14-17(23(24)26)12-18(16-8-6-7-9-19(16)27-2)25(14)13-15-10-20(28-3)22(30-5)21(11-15)29-4/h6-12H,13H2,1-5H3,(H2,24,26).
What are the key properties of 5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide?
5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 3821121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).