1-benzyl-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide

C22H23N3O3 — CID 110612890

IUPAC1-benzyl-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)C3CCC(=O)N3Cc3ccccc3)cc21
InChIInChI=1S/C22H23N3O3/c1-22(2)16-12-15(8-9-17(16)24-21(22)28)23-20(27)18-10-11-19(26)25(18)13-14-6-4-3-5-7-14/h3-9,12,18H,10-11,13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyWIRRWKNQCBNHMZ-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.05
Rot. Bonds4

About 1-benzyl-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide

1-benzyl-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110612890) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-benzyl-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110612890
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-benzyl-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)C3CCC(=O)N3Cc3ccccc3)cc21
InChIInChI=1S/C22H23N3O3/c1-22(2)16-12-15(8-9-17(16)24-21(22)28)23-20(27)18-10-11-19(26)25(18)13-14-6-4-3-5-7-14/h3-9,12,18H,10-11,13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyWIRRWKNQCBNHMZ-UHFFFAOYSA-N
XLogP3.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 91956078
1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387648
N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
CID 110423663
N-(1-acetyl-2,3-dihydroindol-6-yl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
CID 110627221
1-benzyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxopyrrolidine-2-carboxamide
CID 110412225
1-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 110427077
1-benzyl-N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110614172
ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate
CID 110426669
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387638
1-benzyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110421891
1-benzyl-N-(2-methyl-3-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110608606
1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 110674300

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide (CID 110612890) is 1-benzyl-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide is CC1(C)C(=O)Nc2ccc(NC(=O)C3CCC(=O)N3Cc3ccccc3)cc21.
What is the InChIKey of 1-benzyl-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is WIRRWKNQCBNHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-22(2)16-12-15(8-9-17(16)24-21(22)28)23-20(27)18-10-11-19(26)25(18)13-14-6-4-3-5-7-14/h3-9,12,18H,10-11,13H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 1-benzyl-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide?
1-benzyl-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110612890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).