1-benzyl-N-tert-butyl-5-oxo-3-phenyl-2H-pyrrole-2-carboxamide

C22H24N2O2 — CID 122391556

IUPAC1-benzyl-N-tert-butyl-5-oxo-3-phenyl-2H-pyrrole-2-carboxamide
SMILESCC(C)(C)NC(=O)C1C(c2ccccc2)=CC(=O)N1Cc1ccccc1
InChIInChI=1S/C22H24N2O2/c1-22(2,3)23-21(26)20-18(17-12-8-5-9-13-17)14-19(25)24(20)15-16-10-6-4-7-11-16/h4-14,20H,15H2,1-3H3,(H,23,26)
InChIKeyFGNJSTYAYMKQAN-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.40
Rot. Bonds4

About 1-benzyl-N-tert-butyl-5-oxo-3-phenyl-2H-pyrrole-2-carboxamide

1-benzyl-N-tert-butyl-5-oxo-3-phenyl-2H-pyrrole-2-carboxamide (PubChem CID 122391556) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-benzyl-N-tert-butyl-5-oxo-3-phenyl-2H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-tert-butyl-5-oxo-3-phenyl-2H-pyrrole-2-carboxamide
PubChem CID122391556
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-benzyl-N-tert-butyl-5-oxo-3-phenyl-2H-pyrrole-2-carboxamide
SMILESCC(C)(C)NC(=O)C1C(c2ccccc2)=CC(=O)N1Cc1ccccc1
InChIInChI=1S/C22H24N2O2/c1-22(2,3)23-21(26)20-18(17-12-8-5-9-13-17)14-19(25)24(20)15-16-10-6-4-7-11-16/h4-14,20H,15H2,1-3H3,(H,23,26)
InChIKeyFGNJSTYAYMKQAN-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-tert-butyl-5-oxo-3-phenyl-2H-pyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-N-tert-butyl-5-oxo-3-phenyl-2H-pyrrole-2-carboxamide (CID 122391556) is 1-benzyl-N-tert-butyl-5-oxo-3-phenyl-2H-pyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-tert-butyl-5-oxo-3-phenyl-2H-pyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-tert-butyl-5-oxo-3-phenyl-2H-pyrrole-2-carboxamide is CC(C)(C)NC(=O)C1C(c2ccccc2)=CC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-tert-butyl-5-oxo-3-phenyl-2H-pyrrole-2-carboxamide?
The InChIKey is FGNJSTYAYMKQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-22(2,3)23-21(26)20-18(17-12-8-5-9-13-17)14-19(25)24(20)15-16-10-6-4-7-11-16/h4-14,20H,15H2,1-3H3,(H,23,26).
What are the key properties of 1-benzyl-N-tert-butyl-5-oxo-3-phenyl-2H-pyrrole-2-carboxamide?
1-benzyl-N-tert-butyl-5-oxo-3-phenyl-2H-pyrrole-2-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-tert-butyl-5-oxo-3-phenyl-2H-pyrrole-2-carboxamide is sourced from PubChem (CID 122391556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).