N-(5-acetamido-2-methoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide

C23H25N3O3 — CID 29294399

IUPACN-(5-acetamido-2-methoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C
InChIInChI=1S/C23H25N3O3/c1-14-7-6-8-19(11-14)26-15(2)12-20(16(26)3)23(28)25-21-13-18(24-17(4)27)9-10-22(21)29-5/h6-13H,1-5H3,(H,24,27)(H,25,28)
InChIKeyXYXLLINYTXJJLD-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.62
Rot. Bonds5

About N-(5-acetamido-2-methoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide

N-(5-acetamido-2-methoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide (PubChem CID 29294399) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
PubChem CID29294399
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C
InChIInChI=1S/C23H25N3O3/c1-14-7-6-8-19(11-14)26-15(2)12-20(16(26)3)23(28)25-21-13-18(24-17(4)27)9-10-22(21)29-5/h6-13H,1-5H3,(H,24,27)(H,25,28)
InChIKeyXYXLLINYTXJJLD-UHFFFAOYSA-N
XLogP4.62
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 26695119
N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 55471799
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-(5-acetamido-2-methoxyphenyl)-2,3-dimethylbenzamide
CID 8873770
N-(5-acetamido-2-methoxyphenyl)-2,3-dichlorobenzamide
CID 17429613
N-(2-methoxy-5-sulfamoylphenyl)-2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carboxamide
CID 55929096
N-(5-acetamido-2-methoxyphenyl)-2-(3-methylanilino)acetamide
CID 51224557
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 8873735
N-(5-acetamido-2-methoxyphenyl)-1-methylindole-4-carboxamide
CID 51108315
2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylic acid
CID 2339295
N-(5-acetamido-2-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 42282110

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide (CID 29294399) is N-(5-acetamido-2-methoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is XYXLLINYTXJJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-14-7-6-8-19(11-14)26-15(2)12-20(16(26)3)23(28)25-21-13-18(24-17(4)27)9-10-22(21)29-5/h6-13H,1-5H3,(H,24,27)(H,25,28).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 29294399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).