5-benzyl-5-methyl-N-[3-(3-methylbut-2-enoxy)phenyl]-2,4-dioxopyrrolidine-3-carboxamide

C24H26N2O4 — CID 91541995

IUPAC5-benzyl-5-methyl-N-[3-(3-methylbut-2-enoxy)phenyl]-2,4-dioxopyrrolidine-3-carboxamide
SMILESCC(C)=CCOc1cccc(NC(=O)C2C(=O)NC(C)(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C24H26N2O4/c1-16(2)12-13-30-19-11-7-10-18(14-19)25-22(28)20-21(27)24(3,26-23(20)29)15-17-8-5-4-6-9-17/h4-12,14,20H,13,15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyAZTUCTCWAXGUFT-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.29
Rot. Bonds7

About 5-benzyl-5-methyl-N-[3-(3-methylbut-2-enoxy)phenyl]-2,4-dioxopyrrolidine-3-carboxamide

5-benzyl-5-methyl-N-[3-(3-methylbut-2-enoxy)phenyl]-2,4-dioxopyrrolidine-3-carboxamide (PubChem CID 91541995) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 5-benzyl-5-methyl-N-[3-(3-methylbut-2-enoxy)phenyl]-2,4-dioxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-5-methyl-N-[3-(3-methylbut-2-enoxy)phenyl]-2,4-dioxopyrrolidine-3-carboxamide
PubChem CID91541995
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name5-benzyl-5-methyl-N-[3-(3-methylbut-2-enoxy)phenyl]-2,4-dioxopyrrolidine-3-carboxamide
SMILESCC(C)=CCOc1cccc(NC(=O)C2C(=O)NC(C)(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C24H26N2O4/c1-16(2)12-13-30-19-11-7-10-18(14-19)25-22(28)20-21(27)24(3,26-23(20)29)15-17-8-5-4-6-9-17/h4-12,14,20H,13,15H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyAZTUCTCWAXGUFT-UHFFFAOYSA-N
XLogP3.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-benzyl-N-(4-cyclopentylphenyl)-5-methyl-2,4-dioxopyrrolidine-3-carboxamide
CID 90723410
methyl 3-oxo-3-[3-(2-phenylethoxy)anilino]propanoate
CID 28638067
3-phenylpropyl 5-oxo-5-[3-(3-phenylpropoxy)anilino]pentanoate
CID 17133251
N-[3-[2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-2-oxoethoxy]phenyl]acetamide
CID 71030064
N-methyl-3-(3-methylbut-2-enoxy)benzamide
CID 86992210
4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide
CID 17161027
trans-(1R,3R)-3-[[3-(carboxymethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95390965
N-[3-(2-fluoroethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 136517303
1-benzyl-3-[3-(2-methylsulfonylethoxy)phenyl]urea
CID 60616101
N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119303115
1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea
CID 60576890
(E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide
CID 134119682

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-methyl-N-[3-(3-methylbut-2-enoxy)phenyl]-2,4-dioxopyrrolidine-3-carboxamide?
The IUPAC name of 5-benzyl-5-methyl-N-[3-(3-methylbut-2-enoxy)phenyl]-2,4-dioxopyrrolidine-3-carboxamide (CID 91541995) is 5-benzyl-5-methyl-N-[3-(3-methylbut-2-enoxy)phenyl]-2,4-dioxopyrrolidine-3-carboxamide.
What is the SMILES notation for 5-benzyl-5-methyl-N-[3-(3-methylbut-2-enoxy)phenyl]-2,4-dioxopyrrolidine-3-carboxamide?
The canonical SMILES for 5-benzyl-5-methyl-N-[3-(3-methylbut-2-enoxy)phenyl]-2,4-dioxopyrrolidine-3-carboxamide is CC(C)=CCOc1cccc(NC(=O)C2C(=O)NC(C)(Cc3ccccc3)C2=O)c1.
What is the InChIKey of 5-benzyl-5-methyl-N-[3-(3-methylbut-2-enoxy)phenyl]-2,4-dioxopyrrolidine-3-carboxamide?
The InChIKey is AZTUCTCWAXGUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-16(2)12-13-30-19-11-7-10-18(14-19)25-22(28)20-21(27)24(3,26-23(20)29)15-17-8-5-4-6-9-17/h4-12,14,20H,13,15H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 5-benzyl-5-methyl-N-[3-(3-methylbut-2-enoxy)phenyl]-2,4-dioxopyrrolidine-3-carboxamide?
5-benzyl-5-methyl-N-[3-(3-methylbut-2-enoxy)phenyl]-2,4-dioxopyrrolidine-3-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-methyl-N-[3-(3-methylbut-2-enoxy)phenyl]-2,4-dioxopyrrolidine-3-carboxamide is sourced from PubChem (CID 91541995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).