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

C22H24N2O4 — CID 3351332

IUPAC2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
SMILESCOc1cc(Cn2c(-c3ccccc3)cc(C(N)=O)c2C)cc(OC)c1OC
InChIInChI=1S/C22H24N2O4/c1-14-17(22(23)25)12-18(16-8-6-5-7-9-16)24(14)13-15-10-19(26-2)21(28-4)20(11-15)27-3/h5-12H,13H2,1-4H3,(H2,23,25)
InChIKeyDAENRPYDIMJSPM-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.64
Rot. Bonds7

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

2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide (PubChem CID 3351332) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
PubChem CID3351332
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
SMILESCOc1cc(Cn2c(-c3ccccc3)cc(C(N)=O)c2C)cc(OC)c1OC
InChIInChI=1S/C22H24N2O4/c1-14-17(22(23)25)12-18(16-8-6-5-7-9-16)24(14)13-15-10-19(26-2)21(28-4)20(11-15)27-3/h5-12H,13H2,1-4H3,(H2,23,25)
InChIKeyDAENRPYDIMJSPM-UHFFFAOYSA-N
XLogP3.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(4-methylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3863074
5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3821121
5-(3-cyanophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3828786
1-[(4-methoxyphenyl)methyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxamide
CID 3863509
1-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3862274
1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-5-naphthalen-2-ylpyrrole-3-carboxamide
CID 5168471
1-benzyl-5-(4-cyanophenyl)-2-methylpyrrole-3-carboxamide
CID 3808840
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pyrrole-3-carboxamide
CID 3852511
2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3860213
1-[2-(4-chlorophenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3351123
1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 68561015
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide (CID 3351332) is 2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide is COc1cc(Cn2c(-c3ccccc3)cc(C(N)=O)c2C)cc(OC)c1OC.
What is the InChIKey of 2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide?
The InChIKey is DAENRPYDIMJSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14-17(22(23)25)12-18(16-8-6-5-7-9-16)24(14)13-15-10-19(26-2)21(28-4)20(11-15)27-3/h5-12H,13H2,1-4H3,(H2,23,25).
What are the key properties of 2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide?
2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 3351332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).