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

C22H24N2O — CID 134133334

IUPAC2-ethyl-5-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
SMILESCCc1c(C(=O)NC(C)c2ccccc2)cc(C)n1-c1ccccc1
InChIInChI=1S/C22H24N2O/c1-4-21-20(15-16(2)24(21)19-13-9-6-10-14-19)22(25)23-17(3)18-11-7-5-8-12-18/h5-15,17H,4H2,1-3H3,(H,23,25)
InChIKeyLIJXONKSNLKXIX-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.84
Rot. Bonds5

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

2-ethyl-5-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide (PubChem CID 134133334) 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-(1-phenylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
PubChem CID134133334
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name2-ethyl-5-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
SMILESCCc1c(C(=O)NC(C)c2ccccc2)cc(C)n1-c1ccccc1
InChIInChI=1S/C22H24N2O/c1-4-21-20(15-16(2)24(21)19-13-9-6-10-14-19)22(25)23-17(3)18-11-7-5-8-12-18/h5-15,17H,4H2,1-3H3,(H,23,25)
InChIKeyLIJXONKSNLKXIX-UHFFFAOYSA-N
XLogP4.84
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.84
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-(1-phenylethyl)pyrrole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide (CID 134133334) is 2-ethyl-5-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide is CCc1c(C(=O)NC(C)c2ccccc2)cc(C)n1-c1ccccc1.
What is the InChIKey of 2-ethyl-5-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide?
The InChIKey is LIJXONKSNLKXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-4-21-20(15-16(2)24(21)19-13-9-6-10-14-19)22(25)23-17(3)18-11-7-5-8-12-18/h5-15,17H,4H2,1-3H3,(H,23,25).
What are the key properties of 2-ethyl-5-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide?
2-ethyl-5-methyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 4.84, 5 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-(1-phenylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 134133334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).