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

C22H24N2O2 — CID 3741401

IUPAC1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
SMILESCOc1ccccc1Cn1c(C)c(C(N)=O)c(-c2ccc(C)cc2)c1C
InChIInChI=1S/C22H24N2O2/c1-14-9-11-17(12-10-14)20-15(2)24(16(3)21(20)22(23)25)13-18-7-5-6-8-19(18)26-4/h5-12H,13H2,1-4H3,(H2,23,25)
InChIKeyWSFJSOROYMVVOR-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.24
Rot. Bonds5

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

1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide (PubChem CID 3741401) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
PubChem CID3741401
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
SMILESCOc1ccccc1Cn1c(C)c(C(N)=O)c(-c2ccc(C)cc2)c1C
InChIInChI=1S/C22H24N2O2/c1-14-9-11-17(12-10-14)20-15(2)24(16(3)21(20)22(23)25)13-18-7-5-6-8-19(18)26-4/h5-12H,13H2,1-4H3,(H2,23,25)
InChIKeyWSFJSOROYMVVOR-UHFFFAOYSA-N
XLogP4.24
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butylphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide
CID 3740985
5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3824561
4-[4-(dimethylamino)phenyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3763798
1-benzyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3458607
1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3685628
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491439
4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3737651
5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide
CID 3781030
1-benzyl-4-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 4669918
5-(4-bromophenyl)-1-[2-(2-methoxyphenyl)ethyl]-2,4-dimethylpyrrole-3-carboxamide
CID 3697692
1-[(4-methoxyphenyl)methyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491446
2-[3-methoxy-2-(4-methylphenyl)phenyl]acetic acid
CID 69228512

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide (CID 3741401) is 1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide is COc1ccccc1Cn1c(C)c(C(N)=O)c(-c2ccc(C)cc2)c1C.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is WSFJSOROYMVVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-14-9-11-17(12-10-14)20-15(2)24(16(3)21(20)22(23)25)13-18-7-5-6-8-19(18)26-4/h5-12H,13H2,1-4H3,(H2,23,25).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide?
1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3741401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).