3-[4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-methyl-N-(5-methylhexan-2-yl)butanamide

C25H38N2O3 — CID 135218138

IUPAC3-[4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-methyl-N-(5-methylhexan-2-yl)butanamide
SMILESCC(C)CCC(C)NC(=O)CC(C)(C)c1ccc(N2C(=O)CC(C(C)C)C2=O)cc1
InChIInChI=1S/C25H38N2O3/c1-16(2)8-9-18(5)26-22(28)15-25(6,7)19-10-12-20(13-11-19)27-23(29)14-21(17(3)4)24(27)30/h10-13,16-18,21H,8-9,14-15H2,1-7H3,(H,26,28)
InChIKeyZNTZADBBYXGXNT-UHFFFAOYSA-N
MW414.59 g/mol
LogP4.83
Rot. Bonds9

About 3-[4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-methyl-N-(5-methylhexan-2-yl)butanamide

3-[4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-methyl-N-(5-methylhexan-2-yl)butanamide (PubChem CID 135218138) has the molecular formula C25H38N2O3 and a molecular weight of 414.59 g/mol. Its IUPAC name is 3-[4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-methyl-N-(5-methylhexan-2-yl)butanamide.

Molecular Properties

Compound Name3-[4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-methyl-N-(5-methylhexan-2-yl)butanamide
PubChem CID135218138
Molecular FormulaC25H38N2O3
Molecular Weight414.59 g/mol
Exact Mass414.29
IUPAC Name3-[4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-methyl-N-(5-methylhexan-2-yl)butanamide
SMILESCC(C)CCC(C)NC(=O)CC(C)(C)c1ccc(N2C(=O)CC(C(C)C)C2=O)cc1
InChIInChI=1S/C25H38N2O3/c1-16(2)8-9-18(5)26-22(28)15-25(6,7)19-10-12-20(13-11-19)27-23(29)14-21(17(3)4)24(27)30/h10-13,16-18,21H,8-9,14-15H2,1-7H3,(H,26,28)
InChIKeyZNTZADBBYXGXNT-UHFFFAOYSA-N
XLogP4.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 102380691
3-propan-2-yl-1-(4-propylphenyl)pyrrolidine-2,5-dione
CID 71287959
1-[4-(4-oxopentyl)phenyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 145439446
4-[4-(3-hexan-3-yl-2,5-dioxopyrrolidin-1-yl)phenyl]-2,2,4-trimethylpentanal
CID 130319944
N-butan-2-yl-1-(4-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187207
N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide
CID 110306885
3-ethyl-1-[4-(2-methylbutan-2-yl)phenyl]pyrrolidine-2,5-dione
CID 134410037
3-(2,4-dioxopentan-3-yl)-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 146162656
4-[2,5-dioxo-3-(1-phenylethyl)pyrrolidin-1-yl]benzoic acid
CID 2973798
4-[(3R)-2,5-dioxo-3-[(1S)-1-phenylethyl]pyrrolidin-1-yl]benzoic acid
CID 1250566
3-(2,4-dioxopentan-3-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 146162889
3-ethyl-1-[4-(2-methylpentan-2-yl)phenyl]pyrrolidine-2,5-dione
CID 146383825

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-methyl-N-(5-methylhexan-2-yl)butanamide?
The IUPAC name of 3-[4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-methyl-N-(5-methylhexan-2-yl)butanamide (CID 135218138) is 3-[4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-methyl-N-(5-methylhexan-2-yl)butanamide.
What is the SMILES notation for 3-[4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-methyl-N-(5-methylhexan-2-yl)butanamide?
The canonical SMILES for 3-[4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-methyl-N-(5-methylhexan-2-yl)butanamide is CC(C)CCC(C)NC(=O)CC(C)(C)c1ccc(N2C(=O)CC(C(C)C)C2=O)cc1.
What is the InChIKey of 3-[4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-methyl-N-(5-methylhexan-2-yl)butanamide?
The InChIKey is ZNTZADBBYXGXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O3/c1-16(2)8-9-18(5)26-22(28)15-25(6,7)19-10-12-20(13-11-19)27-23(29)14-21(17(3)4)24(27)30/h10-13,16-18,21H,8-9,14-15H2,1-7H3,(H,26,28).
What are the key properties of 3-[4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-methyl-N-(5-methylhexan-2-yl)butanamide?
3-[4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-methyl-N-(5-methylhexan-2-yl)butanamide has a molecular weight of 414.59 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-methyl-N-(5-methylhexan-2-yl)butanamide is sourced from PubChem (CID 135218138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).