N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide

C23H26N2O2 — CID 55592812

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C
InChIInChI=1S/C23H26N2O2/c1-16-8-7-11-21(12-16)25-17(2)13-22(18(25)3)23(26)24-14-19-9-5-6-10-20(19)15-27-4/h5-13H,14-15H2,1-4H3,(H,24,26)
InChIKeyWOQXUYYAVGMYKY-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.48
Rot. Bonds6

About N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide

N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide (PubChem CID 55592812) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
PubChem CID55592812
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C
InChIInChI=1S/C23H26N2O2/c1-16-8-7-11-21(12-16)25-17(2)13-22(18(25)3)23(26)24-14-19-9-5-6-10-20(19)15-27-4/h5-13H,14-15H2,1-4H3,(H,24,26)
InChIKeyWOQXUYYAVGMYKY-UHFFFAOYSA-N
XLogP4.48
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-[2-(methylamino)ethyl]-1-(3-methylphenyl)pyrrole-3-carboxamide;hydrochloride
CID 119502830
N-(2-amino-2-methylpropyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide;hydrochloride
CID 119628984
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 2572789
2,3-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 62649576
2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 2423054
2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxylic acid
CID 2339295
N-[(2S)-1-aminopropan-2-yl]-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 120507388
N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 26695119
2,5-dimethyl-1-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)pyrrole-3-carboxamide
CID 119447744
5-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-methylbenzamide
CID 61292490
2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 121289726
2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 55348072

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide (CID 55592812) is N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide is COCc1ccccc1CNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is WOQXUYYAVGMYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-8-7-11-21(12-16)25-17(2)13-22(18(25)3)23(26)24-14-19-9-5-6-10-20(19)15-27-4/h5-13H,14-15H2,1-4H3,(H,24,26).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide?
N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 55592812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).