3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanamide;3-methyl-3-(3-methylbutoxy)-N-propan-2-ylbutanamide

C23H43N3O5 — CID 164603096

IUPAC3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanamide;3-methyl-3-(3-methylbutoxy)-N-propan-2-ylbutanamide
SMILESCC(C)C1CC(=O)N(CCC(N)=O)C1=O.CC(C)CCOC(C)(C)CC(=O)NC(C)C
InChIInChI=1S/C13H27NO2.C10H16N2O3/c1-10(2)7-8-16-13(5,6)9-12(15)14-11(3)4;1-6(2)7-5-9(14)12(10(7)15)4-3-8(11)13/h10-11H,7-9H2,1-6H3,(H,14,15);6-7H,3-5H2,1-2H3,(H2,11,13)
InChIKeyNXHLBAIGFLQSMM-UHFFFAOYSA-N
MW441.61 g/mol
LogP2.64
Rot. Bonds11

About 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanamide;3-methyl-3-(3-methylbutoxy)-N-propan-2-ylbutanamide

3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanamide;3-methyl-3-(3-methylbutoxy)-N-propan-2-ylbutanamide (PubChem CID 164603096) has the molecular formula C23H43N3O5 and a molecular weight of 441.61 g/mol. Its IUPAC name is 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanamide;3-methyl-3-(3-methylbutoxy)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanamide;3-methyl-3-(3-methylbutoxy)-N-propan-2-ylbutanamide
PubChem CID164603096
Molecular FormulaC23H43N3O5
Molecular Weight441.61 g/mol
Exact Mass441.32
IUPAC Name3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanamide;3-methyl-3-(3-methylbutoxy)-N-propan-2-ylbutanamide
SMILESCC(C)C1CC(=O)N(CCC(N)=O)C1=O.CC(C)CCOC(C)(C)CC(=O)NC(C)C
InChIInChI=1S/C13H27NO2.C10H16N2O3/c1-10(2)7-8-16-13(5,6)9-12(15)14-11(3)4;1-6(2)7-5-9(14)12(10(7)15)4-3-8(11)13/h10-11H,7-9H2,1-6H3,(H,14,15);6-7H,3-5H2,1-2H3,(H2,11,13)
InChIKeyNXHLBAIGFLQSMM-UHFFFAOYSA-N
XLogP2.64
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.61
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-3-methylbutoxy]-3-methyl-N-propan-2-ylbutanamide
CID 164603100
3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide
CID 170010835
N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-3-[2-(3-methylbutoxy)ethoxy]propanamide
CID 153317713
1-[2-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 118459071
ethane;3-[3-(3-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide
CID 166462605
1-[6-(3-methylbutoxy)-4-oxohexyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 157219213
1-(6,6-dimethyl-5-oxoheptyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 146228600
1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 154612252
N-[1-amino-6-[3-[4-[4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]oxypropanoylamino]-1-oxohexan-2-yl]dodecanamide
CID 155356353
N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide
CID 146319764
(2S)-2-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-N-[(2S)-4-methyl-3-oxopentan-2-yl]propanamide
CID 174282283
2,5-dimethyl-5-(3-methylbutoxy)hexan-3-one;6-methyl-5-oxoheptanamide
CID 171804821

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanamide;3-methyl-3-(3-methylbutoxy)-N-propan-2-ylbutanamide?
The IUPAC name of 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanamide;3-methyl-3-(3-methylbutoxy)-N-propan-2-ylbutanamide (CID 164603096) is 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanamide;3-methyl-3-(3-methylbutoxy)-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanamide;3-methyl-3-(3-methylbutoxy)-N-propan-2-ylbutanamide?
The canonical SMILES for 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanamide;3-methyl-3-(3-methylbutoxy)-N-propan-2-ylbutanamide is CC(C)C1CC(=O)N(CCC(N)=O)C1=O.CC(C)CCOC(C)(C)CC(=O)NC(C)C.
What is the InChIKey of 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanamide;3-methyl-3-(3-methylbutoxy)-N-propan-2-ylbutanamide?
The InChIKey is NXHLBAIGFLQSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2.C10H16N2O3/c1-10(2)7-8-16-13(5,6)9-12(15)14-11(3)4;1-6(2)7-5-9(14)12(10(7)15)4-3-8(11)13/h10-11H,7-9H2,1-6H3,(H,14,15);6-7H,3-5H2,1-2H3,(H2,11,13).
What are the key properties of 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanamide;3-methyl-3-(3-methylbutoxy)-N-propan-2-ylbutanamide?
3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanamide;3-methyl-3-(3-methylbutoxy)-N-propan-2-ylbutanamide has a molecular weight of 441.61 g/mol, XLogP of 2.64, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanamide;3-methyl-3-(3-methylbutoxy)-N-propan-2-ylbutanamide is sourced from PubChem (CID 164603096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).