3-[3-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-3-methylbutoxy]-3-methyl-N-propan-2-ylbutanamide

C23H41N3O5 — CID 164603100

IUPAC3-[3-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-3-methylbutoxy]-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(C)(C)OCCC(C)(C)NC(=O)CCN1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C23H41N3O5/c1-15(2)17-13-20(29)26(21(17)30)11-9-18(27)25-22(5,6)10-12-31-23(7,8)14-19(28)24-16(3)4/h15-17H,9-14H2,1-8H3,(H,24,28)(H,25,27)
InChIKeyFWPJMURCRXDCIY-UHFFFAOYSA-N
MW439.60 g/mol
LogP2.40
Rot. Bonds12

About 3-[3-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-3-methylbutoxy]-3-methyl-N-propan-2-ylbutanamide

3-[3-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-3-methylbutoxy]-3-methyl-N-propan-2-ylbutanamide (PubChem CID 164603100) has the molecular formula C23H41N3O5 and a molecular weight of 439.60 g/mol. Its IUPAC name is 3-[3-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-3-methylbutoxy]-3-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-[3-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-3-methylbutoxy]-3-methyl-N-propan-2-ylbutanamide
PubChem CID164603100
Molecular FormulaC23H41N3O5
Molecular Weight439.60 g/mol
Exact Mass439.30
IUPAC Name3-[3-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-3-methylbutoxy]-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(C)(C)OCCC(C)(C)NC(=O)CCN1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C23H41N3O5/c1-15(2)17-13-20(29)26(21(17)30)11-9-18(27)25-22(5,6)10-12-31-23(7,8)14-19(28)24-16(3)4/h15-17H,9-14H2,1-8H3,(H,24,28)(H,25,27)
InChIKeyFWPJMURCRXDCIY-UHFFFAOYSA-N
XLogP2.40
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 52.40
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-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanamide;3-methyl-3-(3-methylbutoxy)-N-propan-2-ylbutanamide
CID 164603096
3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide
CID 170010835
6-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)hexanamide
CID 171833915
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]propanamide
CID 155571740
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]propanamide
CID 174254450
4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-3-methylbutoxy]-N-ethyl-4-methylpentanamide
CID 171558009
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
(2S)-2-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-N-[(2S)-4-methyl-3-oxopentan-2-yl]propanamide
CID 174282283
3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide
CID 140650822
1-(6,6-dimethyl-5-oxoheptyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 146228600
1-[4-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione;ethane
CID 164585932
1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 154612252

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-3-methylbutoxy]-3-methyl-N-propan-2-ylbutanamide?
The IUPAC name of 3-[3-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-3-methylbutoxy]-3-methyl-N-propan-2-ylbutanamide (CID 164603100) is 3-[3-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-3-methylbutoxy]-3-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-[3-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-3-methylbutoxy]-3-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for 3-[3-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-3-methylbutoxy]-3-methyl-N-propan-2-ylbutanamide is CC(C)NC(=O)CC(C)(C)OCCC(C)(C)NC(=O)CCN1C(=O)CC(C(C)C)C1=O.
What is the InChIKey of 3-[3-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-3-methylbutoxy]-3-methyl-N-propan-2-ylbutanamide?
The InChIKey is FWPJMURCRXDCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O5/c1-15(2)17-13-20(29)26(21(17)30)11-9-18(27)25-22(5,6)10-12-31-23(7,8)14-19(28)24-16(3)4/h15-17H,9-14H2,1-8H3,(H,24,28)(H,25,27).
What are the key properties of 3-[3-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-3-methylbutoxy]-3-methyl-N-propan-2-ylbutanamide?
3-[3-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-3-methylbutoxy]-3-methyl-N-propan-2-ylbutanamide has a molecular weight of 439.60 g/mol, XLogP of 2.40, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-3-methylbutoxy]-3-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 164603100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).