5-(2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide

C23H26N2O4 — CID 3825510

IUPAC5-(2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
SMILESCOc1ccc(CCn2c(-c3cc(OC)ccc3OC)cc(C(N)=O)c2C)cc1
InChIInChI=1S/C23H26N2O4/c1-15-19(23(24)26)14-21(20-13-18(28-3)9-10-22(20)29-4)25(15)12-11-16-5-7-17(27-2)8-6-16/h5-10,13-14H,11-12H2,1-4H3,(H2,24,26)
InChIKeyWSMWRFPLPOSFRR-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.83
Rot. Bonds8

About 5-(2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide

5-(2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide (PubChem CID 3825510) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
PubChem CID3825510
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name5-(2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
SMILESCOc1ccc(CCn2c(-c3cc(OC)ccc3OC)cc(C(N)=O)c2C)cc1
InChIInChI=1S/C23H26N2O4/c1-15-19(23(24)26)14-21(20-13-18(28-3)9-10-22(20)29-4)25(15)12-11-16-5-7-17(27-2)8-6-16/h5-10,13-14H,11-12H2,1-4H3,(H2,24,26)
InChIKeyWSMWRFPLPOSFRR-UHFFFAOYSA-N
XLogP3.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-5-(2,5-dimethoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3825508
5-(2,5-dimethoxyphenyl)-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxamide
CID 3825507
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methylpyrrole-3-carboxamide
CID 3723849
1-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3862274
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081993
5-(3-methoxyphenyl)-1-[2-(3-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3827290
5-(3,4-difluorophenyl)-1-[2-(2,5-dimethoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3757128
5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 3727459
1-[(4-methoxyphenyl)methyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxamide
CID 3863509
5-(3,5-ditert-butyl-4-hydroxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3848865
1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 68561015
5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide
CID 116828514

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide (CID 3825510) is 5-(2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide is COc1ccc(CCn2c(-c3cc(OC)ccc3OC)cc(C(N)=O)c2C)cc1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide?
The InChIKey is WSMWRFPLPOSFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15-19(23(24)26)14-21(20-13-18(28-3)9-10-22(20)29-4)25(15)12-11-16-5-7-17(27-2)8-6-16/h5-10,13-14H,11-12H2,1-4H3,(H2,24,26).
What are the key properties of 5-(2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide?
5-(2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3825510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).