4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-3-methylbutoxy]-N-ethyl-4-methylpentanamide

C20H36N2O4 — CID 171558009

IUPAC4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-3-methylbutoxy]-N-ethyl-4-methylpentanamide
SMILESCCNC(=O)CCC(C)(C)OCCC(C)(C)N1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C20H36N2O4/c1-8-21-16(23)9-10-20(6,7)26-12-11-19(4,5)22-17(24)13-15(14(2)3)18(22)25/h14-15H,8-13H2,1-7H3,(H,21,23)
InChIKeyADSUKCOQSWPIFM-UHFFFAOYSA-N
MW368.52 g/mol
LogP2.90
Rot. Bonds10

About 4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-3-methylbutoxy]-N-ethyl-4-methylpentanamide

4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-3-methylbutoxy]-N-ethyl-4-methylpentanamide (PubChem CID 171558009) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is 4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-3-methylbutoxy]-N-ethyl-4-methylpentanamide.

Molecular Properties

Compound Name4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-3-methylbutoxy]-N-ethyl-4-methylpentanamide
PubChem CID171558009
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Name4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-3-methylbutoxy]-N-ethyl-4-methylpentanamide
SMILESCCNC(=O)CCC(C)(C)OCCC(C)(C)N1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C20H36N2O4/c1-8-21-16(23)9-10-20(6,7)26-12-11-19(4,5)22-17(24)13-15(14(2)3)18(22)25/h14-15H,8-13H2,1-7H3,(H,21,23)
InChIKeyADSUKCOQSWPIFM-UHFFFAOYSA-N
XLogP2.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide
CID 170010835
4-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-2,2,4-trimethylpentanoyl iodide
CID 156889459
1-(2,4-dimethylpentan-2-yl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 137419712
3-[3-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-3-methylbutoxy]-3-methyl-N-propan-2-ylbutanamide
CID 164603100
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
3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide
CID 167062986
3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanamide;3-methyl-3-(3-methylbutoxy)-N-propan-2-ylbutanamide
CID 164603096
N-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-4-ethoxy-4-methylpentanamide
CID 137465708
N-[3-[3-(ethylamino)-3-oxopropoxy]-3-methylbutyl]butanamide
CID 146942531
4-(3-amino-3-methylbutoxy)-4-methyl-N-(4-methylpent-2-ynyl)pentanamide
CID 123859244
N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-3-[2-(3-methylbutoxy)ethoxy]propanamide
CID 153317713
dimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium
CID 177060891

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-3-methylbutoxy]-N-ethyl-4-methylpentanamide?
The IUPAC name of 4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-3-methylbutoxy]-N-ethyl-4-methylpentanamide (CID 171558009) is 4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-3-methylbutoxy]-N-ethyl-4-methylpentanamide.
What is the SMILES notation for 4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-3-methylbutoxy]-N-ethyl-4-methylpentanamide?
The canonical SMILES for 4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-3-methylbutoxy]-N-ethyl-4-methylpentanamide is CCNC(=O)CCC(C)(C)OCCC(C)(C)N1C(=O)CC(C(C)C)C1=O.
What is the InChIKey of 4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-3-methylbutoxy]-N-ethyl-4-methylpentanamide?
The InChIKey is ADSUKCOQSWPIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-8-21-16(23)9-10-20(6,7)26-12-11-19(4,5)22-17(24)13-15(14(2)3)18(22)25/h14-15H,8-13H2,1-7H3,(H,21,23).
What are the key properties of 4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-3-methylbutoxy]-N-ethyl-4-methylpentanamide?
4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-3-methylbutoxy]-N-ethyl-4-methylpentanamide has a molecular weight of 368.52 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-3-methylbutoxy]-N-ethyl-4-methylpentanamide is sourced from PubChem (CID 171558009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).