5-(2,5-dimethoxyphenyl)-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxamide

C24H28N2O3 — CID 3825507

IUPAC5-(2,5-dimethoxyphenyl)-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(N)=O)c(C)n2CCCCc2ccccc2)c1
InChIInChI=1S/C24H28N2O3/c1-17-20(24(25)27)16-22(21-15-19(28-2)12-13-23(21)29-3)26(17)14-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,12-13,15-16H,7-8,11,14H2,1-3H3,(H2,25,27)
InChIKeyVLWITRDMYYZZCX-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.60
Rot. Bonds9

About 5-(2,5-dimethoxyphenyl)-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxamide

5-(2,5-dimethoxyphenyl)-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxamide (PubChem CID 3825507) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxamide
PubChem CID3825507
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name5-(2,5-dimethoxyphenyl)-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(N)=O)c(C)n2CCCCc2ccccc2)c1
InChIInChI=1S/C24H28N2O3/c1-17-20(24(25)27)16-22(21-15-19(28-2)12-13-23(21)29-3)26(17)14-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,12-13,15-16H,7-8,11,14H2,1-3H3,(H2,25,27)
InChIKeyVLWITRDMYYZZCX-UHFFFAOYSA-N
XLogP4.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3825510
1-[2-(4-chlorophenyl)ethyl]-5-(2,5-dimethoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3825508
1-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-phenylpyrrole-3-carboxamide
CID 3862274
5-(2-chlorophenyl)-2-methyl-1-(3-phenylpropyl)pyrrole-3-carboxamide
CID 3284921
5-(2-methoxyphenyl)-1,2-dimethylpyrrole-3-carboxamide
CID 116828514
5-(3-methoxyphenyl)-1-[2-(3-methoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3827290
5-(2-methoxyphenyl)-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3821121
5-(2,4-dimethoxyphenyl)-2-methyl-1-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 3727459
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081993
5-(3,4-difluorophenyl)-1-[2-(2,5-dimethoxyphenyl)ethyl]-2-methylpyrrole-3-carboxamide
CID 3757128
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methylpyrrole-3-carboxamide
CID 3723849
2-methyl-5-phenyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 3351332

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxamide (CID 3825507) is 5-(2,5-dimethoxyphenyl)-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxamide is COc1ccc(OC)c(-c2cc(C(N)=O)c(C)n2CCCCc2ccccc2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxamide?
The InChIKey is VLWITRDMYYZZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-17-20(24(25)27)16-22(21-15-19(28-2)12-13-23(21)29-3)26(17)14-8-7-11-18-9-5-4-6-10-18/h4-6,9-10,12-13,15-16H,7-8,11,14H2,1-3H3,(H2,25,27).
What are the key properties of 5-(2,5-dimethoxyphenyl)-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxamide?
5-(2,5-dimethoxyphenyl)-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-2-methyl-1-(4-phenylbutyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3825507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).