N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide

C22H24N2O3 — CID 26695119

IUPACN-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1OC
InChIInChI=1S/C22H24N2O3/c1-14-7-6-8-18(11-14)24-15(2)12-19(16(24)3)22(25)23-17-9-10-20(26-4)21(13-17)27-5/h6-13H,1-5H3,(H,23,25)
InChIKeyRWIPXQJLGNABIG-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.67
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide

N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide (PubChem CID 26695119) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
PubChem CID26695119
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1OC
InChIInChI=1S/C22H24N2O3/c1-14-7-6-8-18(11-14)24-15(2)12-19(16(24)3)22(25)23-17-9-10-20(26-4)21(13-17)27-5/h6-13H,1-5H3,(H,23,25)
InChIKeyRWIPXQJLGNABIG-UHFFFAOYSA-N
XLogP4.67
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 29294399
2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 2423054
N-(3-chloro-4-methoxyphenyl)-2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoacetamide
CID 22515506
N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 55471799
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 60555017
N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 34319459
1-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42785450
N-[4-(ethylcarbamoyl)phenyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 55972355
2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylic acid
CID 2339295
1-(4-chlorophenyl)-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)pyrrole-3-carboxamide
CID 47065466
N-(3,4-dimethoxyphenyl)-2-iodo-4-methylbenzamide
CID 100523566
N-(3,4-dimethoxyphenyl)-2-(3-methylphenyl)acetamide
CID 9497409

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide (CID 26695119) is N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide is COc1ccc(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is RWIPXQJLGNABIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14-7-6-8-18(11-14)24-15(2)12-19(16(24)3)22(25)23-17-9-10-20(26-4)21(13-17)27-5/h6-13H,1-5H3,(H,23,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 26695119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).