3-[(3-ethoxycyclobutyl)amino]-1-propylpyrrolidine-2,5-dione

C13H22N2O3 — CID 114118968

IUPAC3-[(3-ethoxycyclobutyl)amino]-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NC2CC(OCC)C2)C1=O
InChIInChI=1S/C13H22N2O3/c1-3-5-15-12(16)8-11(13(15)17)14-9-6-10(7-9)18-4-2/h9-11,14H,3-8H2,1-2H3
InChIKeyXXAGFTFJZHMTNA-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.68
Rot. Bonds6

About 3-[(3-ethoxycyclobutyl)amino]-1-propylpyrrolidine-2,5-dione

3-[(3-ethoxycyclobutyl)amino]-1-propylpyrrolidine-2,5-dione (PubChem CID 114118968) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[(3-ethoxycyclobutyl)amino]-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(3-ethoxycyclobutyl)amino]-1-propylpyrrolidine-2,5-dione
PubChem CID114118968
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-[(3-ethoxycyclobutyl)amino]-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)CC(NC2CC(OCC)C2)C1=O
InChIInChI=1S/C13H22N2O3/c1-3-5-15-12(16)8-11(13(15)17)14-9-6-10(7-9)18-4-2/h9-11,14H,3-8H2,1-2H3
InChIKeyXXAGFTFJZHMTNA-UHFFFAOYSA-N
XLogP0.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.68
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-(cyclooctylamino)-1-propylpyrrolidine-2,5-dione
CID 43636456
3-[(2-methylcyclopropyl)amino]-1-propylpyrrolidine-2,5-dione
CID 62397716
3-[(1-ethylpiperidin-4-yl)amino]-1-propylpyrrolidine-2,5-dione
CID 54917477
3-[(3-ethoxycyclobutyl)amino]-1-methylpyrrolidin-2-one
CID 103917757
3-(cyclobutylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 43636704
1-ethyl-3-[(3-methylcyclopentyl)amino]pyrrolidine-2,5-dione
CID 114545469
1-(2-ethoxyethyl)-3-(methylamino)pyrrolidine-2,5-dione
CID 58841268
methyl 2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetate
CID 43636164
3-(4-methylpentan-2-ylamino)-1-propylpyrrolidine-2,5-dione
CID 43636728
3-(dicyclopropylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 54959119
1-propyl-3-(3,4,5-trifluoroanilino)pyrrolidine-2,5-dione
CID 62809172
3-(oxan-4-ylmethylamino)-1-propylpyrrolidine-2,5-dione
CID 63726836

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxycyclobutyl)amino]-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(3-ethoxycyclobutyl)amino]-1-propylpyrrolidine-2,5-dione (CID 114118968) is 3-[(3-ethoxycyclobutyl)amino]-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(3-ethoxycyclobutyl)amino]-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(3-ethoxycyclobutyl)amino]-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)CC(NC2CC(OCC)C2)C1=O.
What is the InChIKey of 3-[(3-ethoxycyclobutyl)amino]-1-propylpyrrolidine-2,5-dione?
The InChIKey is XXAGFTFJZHMTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-5-15-12(16)8-11(13(15)17)14-9-6-10(7-9)18-4-2/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 3-[(3-ethoxycyclobutyl)amino]-1-propylpyrrolidine-2,5-dione?
3-[(3-ethoxycyclobutyl)amino]-1-propylpyrrolidine-2,5-dione has a molecular weight of 254.33 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxycyclobutyl)amino]-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 114118968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).