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

C21H22N2O — CID 134150287

IUPAC2,5-dimethyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C21H22N2O/c1-15-14-20(17(3)23(15)19-12-8-5-9-13-19)21(24)22-16(2)18-10-6-4-7-11-18/h4-14,16H,1-3H3,(H,22,24)
InChIKeyYZQXPJFHKGVZHE-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.59
Rot. Bonds4

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

2,5-dimethyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide (PubChem CID 134150287) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 2,5-dimethyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
PubChem CID134150287
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name2,5-dimethyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C21H22N2O/c1-15-14-20(17(3)23(15)19-12-8-5-9-13-19)21(24)22-16(2)18-10-6-4-7-11-18/h4-14,16H,1-3H3,(H,22,24)
InChIKeyYZQXPJFHKGVZHE-UHFFFAOYSA-N
XLogP4.59
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.59
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-(1-phenylethyl)pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide (CID 134150287) is 2,5-dimethyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)NC(C)c2ccccc2)c(C)n1-c1ccccc1.
What is the InChIKey of 2,5-dimethyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide?
The InChIKey is YZQXPJFHKGVZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-15-14-20(17(3)23(15)19-12-8-5-9-13-19)21(24)22-16(2)18-10-6-4-7-11-18/h4-14,16H,1-3H3,(H,22,24).
What are the key properties of 2,5-dimethyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide?
2,5-dimethyl-1-phenyl-N-(1-phenylethyl)pyrrole-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 4.59, 4 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-(1-phenylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 134150287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).