1-butan-2-yl-3-(2-cyclopentyloxyethylamino)pyrrolidine-2,5-dione

C15H26N2O3 — CID 63827659

IUPAC1-butan-2-yl-3-(2-cyclopentyloxyethylamino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NCCOC2CCCC2)C1=O
InChIInChI=1S/C15H26N2O3/c1-3-11(2)17-14(18)10-13(15(17)19)16-8-9-20-12-6-4-5-7-12/h11-13,16H,3-10H2,1-2H3
InChIKeyMVUZGRAPMRVJKV-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.46
Rot. Bonds7

About 1-butan-2-yl-3-(2-cyclopentyloxyethylamino)pyrrolidine-2,5-dione

1-butan-2-yl-3-(2-cyclopentyloxyethylamino)pyrrolidine-2,5-dione (PubChem CID 63827659) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-butan-2-yl-3-(2-cyclopentyloxyethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-(2-cyclopentyloxyethylamino)pyrrolidine-2,5-dione
PubChem CID63827659
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-butan-2-yl-3-(2-cyclopentyloxyethylamino)pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NCCOC2CCCC2)C1=O
InChIInChI=1S/C15H26N2O3/c1-3-11(2)17-14(18)10-13(15(17)19)16-8-9-20-12-6-4-5-7-12/h11-13,16H,3-10H2,1-2H3
InChIKeyMVUZGRAPMRVJKV-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-butan-2-yl-3-(2-cyclopentylethylamino)pyrrolidine-2,5-dione
CID 54932695
1-butan-2-yl-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione
CID 43638288
1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione
CID 62991310
1-butan-2-yl-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 43638139
tert-butyl N-[3-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]propyl]carbamate
CID 104932994
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-ethylacetamide
CID 43638316
1-butan-2-yl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pyrrolidine-2,5-dione
CID 80682213
1-butan-2-yl-3-(2-pyridin-3-ylethylamino)pyrrolidine-2,5-dione
CID 60914432
3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione
CID 60779664
1-butan-2-yl-3-(1-methylsulfanylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 113472748
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)pyrrolidine-2,5-dione
CID 104759895
3-[2-(2-methylprop-2-enoxy)ethylamino]-1-pentan-3-ylpyrrolidine-2,5-dione
CID 114466994

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(2-cyclopentyloxyethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-(2-cyclopentyloxyethylamino)pyrrolidine-2,5-dione (CID 63827659) is 1-butan-2-yl-3-(2-cyclopentyloxyethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-(2-cyclopentyloxyethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-(2-cyclopentyloxyethylamino)pyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(NCCOC2CCCC2)C1=O.
What is the InChIKey of 1-butan-2-yl-3-(2-cyclopentyloxyethylamino)pyrrolidine-2,5-dione?
The InChIKey is MVUZGRAPMRVJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-3-11(2)17-14(18)10-13(15(17)19)16-8-9-20-12-6-4-5-7-12/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 1-butan-2-yl-3-(2-cyclopentyloxyethylamino)pyrrolidine-2,5-dione?
1-butan-2-yl-3-(2-cyclopentyloxyethylamino)pyrrolidine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(2-cyclopentyloxyethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 63827659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).