1-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide

C28H28N2O3 — CID 42785450

IUPAC1-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(-c3ccccc3)cc(C(=O)Nc3ccc(C)c(C)c3)c2C)cc1OC
InChIInChI=1S/C28H28N2O3/c1-18-11-12-22(15-19(18)2)29-28(31)24-17-25(21-9-7-6-8-10-21)30(20(24)3)23-13-14-26(32-4)27(16-23)33-5/h6-17H,1-5H3,(H,29,31)
InChIKeyGRLBFHPUCIRQTG-UHFFFAOYSA-N
MW440.54 g/mol
LogP6.34
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide

1-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide (PubChem CID 42785450) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
PubChem CID42785450
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
SMILESCOc1ccc(-n2c(-c3ccccc3)cc(C(=O)Nc3ccc(C)c(C)c3)c2C)cc1OC
InChIInChI=1S/C28H28N2O3/c1-18-11-12-22(15-19(18)2)29-28(31)24-17-25(21-9-7-6-8-10-21)30(20(24)3)23-13-14-26(32-4)27(16-23)33-5/h6-17H,1-5H3,(H,29,31)
InChIKeyGRLBFHPUCIRQTG-UHFFFAOYSA-N
XLogP6.34
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-1-(2-ethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 46126484
N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 26695119
4-[1-(3,4-dimethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carbonyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 3907261
N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028331
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
N-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110299497
1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 7230977
N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide
CID 100707473
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42785432
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
N-(3,4-dimethylphenyl)-1,5-diphenyltriazole-4-carboxamide
CID 16651449
1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
CID 7230876

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide (CID 42785450) is 1-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide is COc1ccc(-n2c(-c3ccccc3)cc(C(=O)Nc3ccc(C)c(C)c3)c2C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
The InChIKey is GRLBFHPUCIRQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-18-11-12-22(15-19(18)2)29-28(31)24-17-25(21-9-7-6-8-10-21)30(20(24)3)23-13-14-26(32-4)27(16-23)33-5/h6-17H,1-5H3,(H,29,31).
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
1-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 6.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 42785450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).