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

C28H28N2O2 — CID 46126484

IUPACN-(3,4-dimethylphenyl)-1-(2-ethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
SMILESCCOc1ccccc1-n1c(-c2ccccc2)cc(C(=O)Nc2ccc(C)c(C)c2)c1C
InChIInChI=1S/C28H28N2O2/c1-5-32-27-14-10-9-13-25(27)30-21(4)24(18-26(30)22-11-7-6-8-12-22)28(31)29-23-16-15-19(2)20(3)17-23/h6-18H,5H2,1-4H3,(H,29,31)
InChIKeyWGVWLKDKTVKLTE-UHFFFAOYSA-N
MW424.54 g/mol
LogP6.72
Rot. Bonds6

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

N-(3,4-dimethylphenyl)-1-(2-ethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide (PubChem CID 46126484) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-(2-ethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-(2-ethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
PubChem CID46126484
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC NameN-(3,4-dimethylphenyl)-1-(2-ethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
SMILESCCOc1ccccc1-n1c(-c2ccccc2)cc(C(=O)Nc2ccc(C)c(C)c2)c1C
InChIInChI=1S/C28H28N2O2/c1-5-32-27-14-10-9-13-25(27)30-21(4)24(18-26(30)22-11-7-6-8-12-22)28(31)29-23-16-15-19(2)20(3)17-23/h6-18H,5H2,1-4H3,(H,29,31)
InChIKeyWGVWLKDKTVKLTE-UHFFFAOYSA-N
XLogP6.72
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42785450
1-[4-[1-(2-ethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carbonyl]piperazin-1-yl]ethanone
CID 42785312
1-(2-methoxyphenyl)-2-methyl-N-(3-methylbutyl)-5-phenylpyrrole-3-carboxamide
CID 7230876
N-(3,3-diphenylpropyl)-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 4579764
1-(2-methoxyphenyl)-2-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 42665715
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-ethoxyphenyl)-2-methyl-5-phenylpyrrol-3-yl]methanone
CID 42665678
N-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42665713
N-butyl-1-(2-chlorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 7213171
N-(3,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946489
2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide
CID 81394623
N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 7230351
N-(3,4-dimethylphenyl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109198092

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-(2-ethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-(2-ethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide (CID 46126484) is N-(3,4-dimethylphenyl)-1-(2-ethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-(2-ethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-(2-ethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide is CCOc1ccccc1-n1c(-c2ccccc2)cc(C(=O)Nc2ccc(C)c(C)c2)c1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-(2-ethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
The InChIKey is WGVWLKDKTVKLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c1-5-32-27-14-10-9-13-25(27)30-21(4)24(18-26(30)22-11-7-6-8-12-22)28(31)29-23-16-15-19(2)20(3)17-23/h6-18H,5H2,1-4H3,(H,29,31).
What are the key properties of N-(3,4-dimethylphenyl)-1-(2-ethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide?
N-(3,4-dimethylphenyl)-1-(2-ethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 6.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-(2-ethoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 46126484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).