2,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide

C21H22N2O — CID 134137479

IUPAC2,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C21H22N2O/c1-16-15-20(17(2)23(16)19-11-7-4-8-12-19)21(24)22-14-13-18-9-5-3-6-10-18/h3-12,15H,13-14H2,1-2H3,(H,22,24)
InChIKeyGXEIPLPOJXGXKF-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.07
Rot. Bonds5

About 2,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide

2,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide (PubChem CID 134137479) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 2,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide
PubChem CID134137479
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name2,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C21H22N2O/c1-16-15-20(17(2)23(16)19-11-7-4-8-12-19)21(24)22-14-13-18-9-5-3-6-10-18/h3-12,15H,13-14H2,1-2H3,(H,22,24)
InChIKeyGXEIPLPOJXGXKF-UHFFFAOYSA-N
XLogP4.07
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.07
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 2,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide (CID 134137479) is 2,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)NCCc2ccccc2)c(C)n1-c1ccccc1.
What is the InChIKey of 2,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide?
The InChIKey is GXEIPLPOJXGXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-16-15-20(17(2)23(16)19-11-7-4-8-12-19)21(24)22-14-13-18-9-5-3-6-10-18/h3-12,15H,13-14H2,1-2H3,(H,22,24).
What are the key properties of 2,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide?
2,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-phenyl-N-(2-phenylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 134137479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).