3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide

C22H38N2O6 — CID 58242326

IUPAC3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide
SMILESCC(C)(C)C(=O)CCOCCOCCNC(=O)CCN1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C22H38N2O6/c1-21(2,3)16-15-19(27)24(20(16)28)10-7-18(26)23-9-12-30-14-13-29-11-8-17(25)22(4,5)6/h16H,7-15H2,1-6H3,(H,23,26)
InChIKeyDWUHDQJLLAKETI-UHFFFAOYSA-N
MW426.55 g/mol
LogP1.95
Rot. Bonds12

About 3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide

3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide (PubChem CID 58242326) has the molecular formula C22H38N2O6 and a molecular weight of 426.55 g/mol. Its IUPAC name is 3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide
PubChem CID58242326
Molecular FormulaC22H38N2O6
Molecular Weight426.55 g/mol
Exact Mass426.27
IUPAC Name3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide
SMILESCC(C)(C)C(=O)CCOCCOCCNC(=O)CCN1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C22H38N2O6/c1-21(2,3)16-15-19(27)24(20(16)28)10-7-18(26)23-9-12-30-14-13-29-11-8-17(25)22(4,5)6/h16H,7-15H2,1-6H3,(H,23,26)
InChIKeyDWUHDQJLLAKETI-UHFFFAOYSA-N
XLogP1.95
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
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
3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide
CID 145127897
3-[2-[3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]butanamide
CID 130193048
3-(2,5-dioxo-3-prop-1-en-2-ylpyrrolidin-1-yl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 156842258
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
CID 121480755
N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 163865588
ethane;3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide
CID 155745456
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 158125954
3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide
CID 140650822
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4,4-dimethylpentanamide
CID 168855315
3-[3-(2-aminoethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 89469249

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide?
The IUPAC name of 3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide (CID 58242326) is 3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide is CC(C)(C)C(=O)CCOCCOCCNC(=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-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide?
The InChIKey is DWUHDQJLLAKETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O6/c1-21(2,3)16-15-19(27)24(20(16)28)10-7-18(26)23-9-12-30-14-13-29-11-8-17(25)22(4,5)6/h16H,7-15H2,1-6H3,(H,23,26).
What are the key properties of 3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide?
3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide has a molecular weight of 426.55 g/mol, XLogP of 1.95, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide is sourced from PubChem (CID 58242326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).