1-[2-(4-hydroxyphenyl)ethyl]-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide

C22H24N2O3 — CID 3457800

IUPAC1-[2-(4-hydroxyphenyl)ethyl]-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1ccccc1-c1c(C(N)=O)c(C)n(CCc2ccc(O)cc2)c1C
InChIInChI=1S/C22H24N2O3/c1-14-20(18-6-4-5-7-19(18)27-3)21(22(23)26)15(2)24(14)13-12-16-8-10-17(25)11-9-16/h4-11,25H,12-13H2,1-3H3,(H2,23,26)
InChIKeyMUKVYKQFNIMMIS-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.83
Rot. Bonds6

About 1-[2-(4-hydroxyphenyl)ethyl]-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide

1-[2-(4-hydroxyphenyl)ethyl]-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 3457800) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[2-(4-hydroxyphenyl)ethyl]-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-hydroxyphenyl)ethyl]-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID3457800
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-[2-(4-hydroxyphenyl)ethyl]-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCOc1ccccc1-c1c(C(N)=O)c(C)n(CCc2ccc(O)cc2)c1C
InChIInChI=1S/C22H24N2O3/c1-14-20(18-6-4-5-7-19(18)27-3)21(22(23)26)15(2)24(14)13-12-16-8-10-17(25)11-9-16/h4-11,25H,12-13H2,1-3H3,(H2,23,26)
InChIKeyMUKVYKQFNIMMIS-UHFFFAOYSA-N
XLogP3.83
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 3858610
4-(2-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3864438
4-(2-methoxyphenyl)-2,5-dimethyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 4236636
1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-pentyl-4-phenylpyrrole-3-carboxamide
CID 3842962
1-[2-(2-methoxyphenyl)ethyl]-2-methyl-4,5-diphenylpyrrole-3-carboxamide
CID 3491439
2,5-dimethyl-4-(2-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3508421
5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3870995
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3849207
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-phenyl-5-propylpyrrole-3-carboxamide
CID 3700219
4-(4-chlorophenyl)-5-ethyl-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3863874
1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3741401
4-(2-chlorophenyl)-5-ethyl-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3373701

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxyphenyl)ethyl]-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-[2-(4-hydroxyphenyl)ethyl]-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide (CID 3457800) is 1-[2-(4-hydroxyphenyl)ethyl]-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[2-(4-hydroxyphenyl)ethyl]-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-[2-(4-hydroxyphenyl)ethyl]-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide is COc1ccccc1-c1c(C(N)=O)c(C)n(CCc2ccc(O)cc2)c1C.
What is the InChIKey of 1-[2-(4-hydroxyphenyl)ethyl]-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is MUKVYKQFNIMMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14-20(18-6-4-5-7-19(18)27-3)21(22(23)26)15(2)24(14)13-12-16-8-10-17(25)11-9-16/h4-11,25H,12-13H2,1-3H3,(H2,23,26).
What are the key properties of 1-[2-(4-hydroxyphenyl)ethyl]-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide?
1-[2-(4-hydroxyphenyl)ethyl]-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxyphenyl)ethyl]-4-(2-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 3457800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).