1-benzyl-N-tert-butyl-5-oxo-3-(4-phenylphenyl)-2H-pyrrole-2-carboxamide

C28H28N2O2 — CID 11774592

IUPAC1-benzyl-N-tert-butyl-5-oxo-3-(4-phenylphenyl)-2H-pyrrole-2-carboxamide
SMILESCC(C)(C)NC(=O)C1C(c2ccc(-c3ccccc3)cc2)=CC(=O)N1Cc1ccccc1
InChIInChI=1S/C28H28N2O2/c1-28(2,3)29-27(32)26-24(18-25(31)30(26)19-20-10-6-4-7-11-20)23-16-14-22(15-17-23)21-12-8-5-9-13-21/h4-18,26H,19H2,1-3H3,(H,29,32)
InChIKeyOYGGMNGWINZNND-UHFFFAOYSA-N
MW424.54 g/mol
LogP5.06
Rot. Bonds5

About 1-benzyl-N-tert-butyl-5-oxo-3-(4-phenylphenyl)-2H-pyrrole-2-carboxamide

1-benzyl-N-tert-butyl-5-oxo-3-(4-phenylphenyl)-2H-pyrrole-2-carboxamide (PubChem CID 11774592) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 1-benzyl-N-tert-butyl-5-oxo-3-(4-phenylphenyl)-2H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-tert-butyl-5-oxo-3-(4-phenylphenyl)-2H-pyrrole-2-carboxamide
PubChem CID11774592
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name1-benzyl-N-tert-butyl-5-oxo-3-(4-phenylphenyl)-2H-pyrrole-2-carboxamide
SMILESCC(C)(C)NC(=O)C1C(c2ccc(-c3ccccc3)cc2)=CC(=O)N1Cc1ccccc1
InChIInChI=1S/C28H28N2O2/c1-28(2,3)29-27(32)26-24(18-25(31)30(26)19-20-10-6-4-7-11-20)23-16-14-22(15-17-23)21-12-8-5-9-13-21/h4-18,26H,19H2,1-3H3,(H,29,32)
InChIKeyOYGGMNGWINZNND-UHFFFAOYSA-N
XLogP5.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-tert-butyl-5-oxo-3-phenyl-2H-pyrrole-2-carboxamide
CID 122391556
1-(1,3-benzodioxol-5-ylmethyl)-N-tert-butyl-5-oxo-3-phenyl-2H-pyrrole-2-carboxamide
CID 170913318
1-benzyl-N-tert-butyl-6-oxo-4-phenyl-2,3-dihydropyridine-2-carboxamide
CID 11462603
9-benzyl-N-tert-butyl-6-methyl-7,8-dioxo-6,9-diazaspiro[4.5]decane-10-carboxamide
CID 71161690
N-tert-butyl-6-[(3,5-dimethylphenyl)methyl]-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide
CID 53242441
2-benzyl-3-(tert-butylcarbamoyl)-9-hydroxy-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 150694577
N-tert-butyl-2,5-dioxo-7-phenyl-4-(2-phenylethyl)-1,3-dihydrothieno[2,3-e][1,4]diazepine-3-carboxamide
CID 46868740
8-benzyl-N-tert-butyl-9-oxo-5-oxa-8-azatetracyclo[8.8.0.02,6.013,18]octadeca-1(10),2(6),3,11,13,15,17-heptaene-7-carboxamide
CID 71162127
(1S,2S,5R)-6-benzyl-N-tert-butyl-3-oxa-6-azabicyclo[3.1.1]heptane-2-carboxamide
CID 175950100
2-benzyl-N-tert-butyl-3-oxopyridazine-4-carboxamide
CID 59531638
N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168055
N-tert-butyl-2-[(5-fluoro-2-phenylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 68770301

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-tert-butyl-5-oxo-3-(4-phenylphenyl)-2H-pyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-N-tert-butyl-5-oxo-3-(4-phenylphenyl)-2H-pyrrole-2-carboxamide (CID 11774592) is 1-benzyl-N-tert-butyl-5-oxo-3-(4-phenylphenyl)-2H-pyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-tert-butyl-5-oxo-3-(4-phenylphenyl)-2H-pyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-tert-butyl-5-oxo-3-(4-phenylphenyl)-2H-pyrrole-2-carboxamide is CC(C)(C)NC(=O)C1C(c2ccc(-c3ccccc3)cc2)=CC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-tert-butyl-5-oxo-3-(4-phenylphenyl)-2H-pyrrole-2-carboxamide?
The InChIKey is OYGGMNGWINZNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c1-28(2,3)29-27(32)26-24(18-25(31)30(26)19-20-10-6-4-7-11-20)23-16-14-22(15-17-23)21-12-8-5-9-13-21/h4-18,26H,19H2,1-3H3,(H,29,32).
What are the key properties of 1-benzyl-N-tert-butyl-5-oxo-3-(4-phenylphenyl)-2H-pyrrole-2-carboxamide?
1-benzyl-N-tert-butyl-5-oxo-3-(4-phenylphenyl)-2H-pyrrole-2-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 5.06, 5 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-(4-phenylphenyl)-2H-pyrrole-2-carboxamide is sourced from PubChem (CID 11774592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).