3-[2-[3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]butanamide

C17H29N3O5 — CID 130193048

IUPAC3-[2-[3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]butanamide
SMILESCC(CC(N)=O)OCCNC(=O)CCN1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C17H29N3O5/c1-11(9-13(18)21)25-8-6-19-14(22)5-7-20-15(23)10-12(16(20)24)17(2,3)4/h11-12H,5-10H2,1-4H3,(H2,18,21)(H,19,22)
InChIKeyNGVWUMLNOOVBQY-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.19
Rot. Bonds9

About 3-[2-[3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]butanamide

3-[2-[3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]butanamide (PubChem CID 130193048) has the molecular formula C17H29N3O5 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[2-[3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]butanamide.

Molecular Properties

Compound Name3-[2-[3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]butanamide
PubChem CID130193048
Molecular FormulaC17H29N3O5
Molecular Weight355.44 g/mol
Exact Mass355.21
IUPAC Name3-[2-[3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]butanamide
SMILESCC(CC(N)=O)OCCNC(=O)CCN1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C17H29N3O5/c1-11(9-13(18)21)25-8-6-19-14(22)5-7-20-15(23)10-12(16(20)24)17(2,3)4/h11-12H,5-10H2,1-4H3,(H2,18,21)(H,19,22)
InChIKeyNGVWUMLNOOVBQY-UHFFFAOYSA-N
XLogP0.19
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethyl]propanamide
CID 58242326
3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)-N-(2-dimethylphosphanylethyl)propanamide
CID 145127897
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-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide
CID 140650822
3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide
CID 170010835
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
CID 121480755
2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl N-ethylcarbamate
CID 167208030
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
N-(2-methoxyethyl)-3-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59257637
3-tert-butyl-1-(3-oxoheptyl)pyrrolidine-2,5-dione
CID 58051575

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]butanamide?
The IUPAC name of 3-[2-[3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]butanamide (CID 130193048) is 3-[2-[3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]butanamide.
What is the SMILES notation for 3-[2-[3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]butanamide?
The canonical SMILES for 3-[2-[3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]butanamide is CC(CC(N)=O)OCCNC(=O)CCN1C(=O)CC(C(C)(C)C)C1=O.
What is the InChIKey of 3-[2-[3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]butanamide?
The InChIKey is NGVWUMLNOOVBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O5/c1-11(9-13(18)21)25-8-6-19-14(22)5-7-20-15(23)10-12(16(20)24)17(2,3)4/h11-12H,5-10H2,1-4H3,(H2,18,21)(H,19,22).
What are the key properties of 3-[2-[3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]butanamide?
3-[2-[3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]butanamide has a molecular weight of 355.44 g/mol, XLogP of 0.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]butanamide is sourced from PubChem (CID 130193048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).