3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide

C15H27N2O3P — CID 145127897

IUPAC3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide
SMILESCP(C)CCNC(=O)CCN1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C15H27N2O3P/c1-15(2,3)11-10-13(19)17(14(11)20)8-6-12(18)16-7-9-21(4)5/h11H,6-10H2,1-5H3,(H,16,18)
InChIKeyWNWVIAHXFWJILM-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.66
Rot. Bonds6

About 3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide

3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide (PubChem CID 145127897) has the molecular formula C15H27N2O3P and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide
PubChem CID145127897
Molecular FormulaC15H27N2O3P
Molecular Weight314.37 g/mol
Exact Mass314.18
IUPAC Name3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide
SMILESCP(C)CCNC(=O)CCN1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C15H27N2O3P/c1-15(2,3)11-10-13(19)17(14(11)20)8-6-12(18)16-7-9-21(4)5/h11H,6-10H2,1-5H3,(H,16,18)
InChIKeyWNWVIAHXFWJILM-UHFFFAOYSA-N
XLogP1.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide
CID 58242326
6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-[2-[6-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]ethoxy]ethoxy]ethyl]hexanamide
CID 162456959
3-(3-butylsulfanyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide;ethane
CID 145127902
3-[2-[3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]butanamide
CID 130193048
2-[4-[2-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 154623597
[(E)-17-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethylamino]-17-oxoheptadec-1-enyl]phosphonic acid
CID 167145589
3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione
CID 58051575
3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]propanamide
CID 88983253
N-[2-[2-[2-(3-ethyl-3-methylpentoxy)ethoxy]ethoxy]ethyl]-3-[3-(2-methylbutan-2-yl)-2,5-dioxopyrrolidin-1-yl]propanamide
CID 166462537
N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 90191256
(2S)-2-[3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[6-(3-ethylsulfanylpropanoylamino)hexyl]hexanamide
CID 135188506
N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 58519834

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide?
The IUPAC name of 3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide (CID 145127897) is 3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide.
What is the SMILES notation for 3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide?
The canonical SMILES for 3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide is CP(C)CCNC(=O)CCN1C(=O)CC(C(C)(C)C)C1=O.
What is the InChIKey of 3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide?
The InChIKey is WNWVIAHXFWJILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N2O3P/c1-15(2,3)11-10-13(19)17(14(11)20)8-6-12(18)16-7-9-21(4)5/h11H,6-10H2,1-5H3,(H,16,18).
What are the key properties of 3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide?
3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide has a molecular weight of 314.37 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide is sourced from PubChem (CID 145127897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).