4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2,2,4-trimethyl-N-(3-methylbutan-2-yl)pentanamide

C20H36N2O3 — CID 155439881

IUPAC4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2,2,4-trimethyl-N-(3-methylbutan-2-yl)pentanamide
SMILESCCC1(C)CC(=O)N(C(C)(C)CC(C)(C)C(=O)NC(C)C(C)C)C1=O
InChIInChI=1S/C20H36N2O3/c1-10-20(9)11-15(23)22(17(20)25)19(7,8)12-18(5,6)16(24)21-14(4)13(2)3/h13-14H,10-12H2,1-9H3,(H,21,24)
InChIKeyMPAWPWMCXINAHM-UHFFFAOYSA-N
MW352.52 g/mol
LogP3.52
Rot. Bonds7

About 4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2,2,4-trimethyl-N-(3-methylbutan-2-yl)pentanamide

4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2,2,4-trimethyl-N-(3-methylbutan-2-yl)pentanamide (PubChem CID 155439881) has the molecular formula C20H36N2O3 and a molecular weight of 352.52 g/mol. Its IUPAC name is 4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2,2,4-trimethyl-N-(3-methylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2,2,4-trimethyl-N-(3-methylbutan-2-yl)pentanamide
PubChem CID155439881
Molecular FormulaC20H36N2O3
Molecular Weight352.52 g/mol
Exact Mass352.27
IUPAC Name4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2,2,4-trimethyl-N-(3-methylbutan-2-yl)pentanamide
SMILESCCC1(C)CC(=O)N(C(C)(C)CC(C)(C)C(=O)NC(C)C(C)C)C1=O
InChIInChI=1S/C20H36N2O3/c1-10-20(9)11-15(23)22(17(20)25)19(7,8)12-18(5,6)16(24)21-14(4)13(2)3/h13-14H,10-12H2,1-9H3,(H,21,24)
InChIKeyMPAWPWMCXINAHM-UHFFFAOYSA-N
XLogP3.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 53.52
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

3-(Carboxyamide(2-carboxyamide-2-tertbutylethyl))pentan
CID 5289290
2-[(3S)-1-cyclohexyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
CID 46903032
2-[(3S)-1-butyl-4,4-dimethyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
CID 46903033
3-(2,5-dioxopyrrolidin-1-yl)-N-[(3S)-2,2,6-trimethylheptan-3-yl]propanamide
CID 95628431
1-(4-Aminobutyl)-3-ethyl-3-methylpyrrolidine-2,5-dione
CID 20436261
(2S)-2-tert-butyl-N'-pentan-3-ylbutanediamide
CID 22864141
3-[[2,2-Dimethyl-4-(2-oxopyrrolidin-1-yl)hexanoyl]amino]propyl-trimethylazanium
CID 22955602
N'-(3,3-dimethylbutan-2-yl)-3-ethyl-2-methylbutanediamide
CID 54568560
1-(3-Aminopropyl)-3-ethyl-3-methylpyrrolidine-2,5-dione
CID 57009994
N-[4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]formamide
CID 57086288
1-(5-Aminopentyl)-3-ethyl-3-methylpyrrolidine-2,5-dione
CID 57176341
4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(4,4-dimethylpentyl)butanamide
CID 57655092

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2,2,4-trimethyl-N-(3-methylbutan-2-yl)pentanamide?
The IUPAC name of 4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2,2,4-trimethyl-N-(3-methylbutan-2-yl)pentanamide (CID 155439881) is 4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2,2,4-trimethyl-N-(3-methylbutan-2-yl)pentanamide.
What is the SMILES notation for 4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2,2,4-trimethyl-N-(3-methylbutan-2-yl)pentanamide?
The canonical SMILES for 4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2,2,4-trimethyl-N-(3-methylbutan-2-yl)pentanamide is CCC1(C)CC(=O)N(C(C)(C)CC(C)(C)C(=O)NC(C)C(C)C)C1=O.
What is the InChIKey of 4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2,2,4-trimethyl-N-(3-methylbutan-2-yl)pentanamide?
The InChIKey is MPAWPWMCXINAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O3/c1-10-20(9)11-15(23)22(17(20)25)19(7,8)12-18(5,6)16(24)21-14(4)13(2)3/h13-14H,10-12H2,1-9H3,(H,21,24).
What are the key properties of 4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2,2,4-trimethyl-N-(3-methylbutan-2-yl)pentanamide?
4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2,2,4-trimethyl-N-(3-methylbutan-2-yl)pentanamide has a molecular weight of 352.52 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)-2,2,4-trimethyl-N-(3-methylbutan-2-yl)pentanamide is sourced from PubChem (CID 155439881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).