3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide

C25H30N2O3 — CID 23743856

IUPAC3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide
SMILESCc1ccc(N2C(=O)CC(N(CCc3ccccc3)C(=O)CC(C)(C)C)C2=O)cc1
InChIInChI=1S/C25H30N2O3/c1-18-10-12-20(13-11-18)27-22(28)16-21(24(27)30)26(23(29)17-25(2,3)4)15-14-19-8-6-5-7-9-19/h5-13,21H,14-17H2,1-4H3
InChIKeyZIXIRKLYRKLTMU-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.13
Rot. Bonds6

About 3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide

3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide (PubChem CID 23743856) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide
PubChem CID23743856
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide
SMILESCc1ccc(N2C(=O)CC(N(CCc3ccccc3)C(=O)CC(C)(C)C)C2=O)cc1
InChIInChI=1S/C25H30N2O3/c1-18-10-12-20(13-11-18)27-22(28)16-21(24(27)30)26(23(29)17-25(2,3)4)15-14-19-8-6-5-7-9-19/h5-13,21H,14-17H2,1-4H3
InChIKeyZIXIRKLYRKLTMU-UHFFFAOYSA-N
XLogP4.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethyl-N-(2-phenylethyl)butanamide
CID 23743857
N-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]butanamide
CID 23802165
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)propanamide
CID 3121026
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-phenylethyl)acetamide
CID 3109144
N-benzyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23915049
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 23998801
4-[[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)amino]-4-oxobutanoic acid
CID 7013740
N-[1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide
CID 23773011
N-[2-(cyclohexen-1-yl)ethyl]-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23859261
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide
CID 23915169
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-3,3-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 25046275
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 23915042

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide (CID 23743856) is 3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide is Cc1ccc(N2C(=O)CC(N(CCc3ccccc3)C(=O)CC(C)(C)C)C2=O)cc1.
What is the InChIKey of 3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide?
The InChIKey is ZIXIRKLYRKLTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-18-10-12-20(13-11-18)27-22(28)16-21(24(27)30)26(23(29)17-25(2,3)4)15-14-19-8-6-5-7-9-19/h5-13,21H,14-17H2,1-4H3.
What are the key properties of 3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide?
3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide has a molecular weight of 406.53 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 23743856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).