2-ethyl-5-methyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide

C22H24N2O — CID 134148570

IUPAC2-ethyl-5-methyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide
SMILESCCc1c(C(=O)NCCc2ccccc2)cc(C)n1-c1ccccc1
InChIInChI=1S/C22H24N2O/c1-3-21-20(16-17(2)24(21)19-12-8-5-9-13-19)22(25)23-15-14-18-10-6-4-7-11-18/h4-13,16H,3,14-15H2,1-2H3,(H,23,25)
InChIKeyBQJOLLFQTKCSOO-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.32
Rot. Bonds6

About 2-ethyl-5-methyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide

2-ethyl-5-methyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide (PubChem CID 134148570) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-ethyl-5-methyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide
PubChem CID134148570
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name2-ethyl-5-methyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide
SMILESCCc1c(C(=O)NCCc2ccccc2)cc(C)n1-c1ccccc1
InChIInChI=1S/C22H24N2O/c1-3-21-20(16-17(2)24(21)19-12-8-5-9-13-19)22(25)23-15-14-18-10-6-4-7-11-18/h4-13,16H,3,14-15H2,1-2H3,(H,23,25)
InChIKeyBQJOLLFQTKCSOO-UHFFFAOYSA-N
XLogP4.32
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide (CID 134148570) is 2-ethyl-5-methyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide is CCc1c(C(=O)NCCc2ccccc2)cc(C)n1-c1ccccc1.
What is the InChIKey of 2-ethyl-5-methyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide?
The InChIKey is BQJOLLFQTKCSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-3-21-20(16-17(2)24(21)19-12-8-5-9-13-19)22(25)23-15-14-18-10-6-4-7-11-18/h4-13,16H,3,14-15H2,1-2H3,(H,23,25).
What are the key properties of 2-ethyl-5-methyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide?
2-ethyl-5-methyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 134148570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).