1-cyclopentyl-3-(octan-4-ylamino)pyrrolidine-2,5-dione

C17H30N2O2 — CID 106024203

IUPAC1-cyclopentyl-3-(octan-4-ylamino)pyrrolidine-2,5-dione
SMILESCCCCC(CCC)NC1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-3-5-9-13(8-4-2)18-15-12-16(20)19(17(15)21)14-10-6-7-11-14/h13-15,18H,3-12H2,1-2H3
InChIKeyXCMCLASUYXVAPK-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.01
Rot. Bonds8

About 1-cyclopentyl-3-(octan-4-ylamino)pyrrolidine-2,5-dione

1-cyclopentyl-3-(octan-4-ylamino)pyrrolidine-2,5-dione (PubChem CID 106024203) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-cyclopentyl-3-(octan-4-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-(octan-4-ylamino)pyrrolidine-2,5-dione
PubChem CID106024203
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-cyclopentyl-3-(octan-4-ylamino)pyrrolidine-2,5-dione
SMILESCCCCC(CCC)NC1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-3-5-9-13(8-4-2)18-15-12-16(20)19(17(15)21)14-10-6-7-11-14/h13-15,18H,3-12H2,1-2H3
InChIKeyXCMCLASUYXVAPK-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 21327793
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 44374687
N-[3-[di(propan-2-yl)amino]propyl]-2-(2-methyl-5-oxopyrrolidin-1-yl)acetamide
CID 44374720
N-[3-(2,6-diethylpiperidin-1-yl)propyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 44374746
N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-oxododecanamide
CID 53238620
1-Methyl-3-(propylamino)pyrrolidine-2,5-dione
CID 43635902
1-(Propan-2-yl)-3-(propylamino)pyrrolidine-2,5-dione
CID 43636065
N-(2,5-Dioxo-1-propyl-pyrrolidin-3-YL)acetamide
CID 335887
N1-cyclopentyl-N2-(3-(2-oxopyrrolidin-1-yl)propyl)oxalamide
CID 18588538
1-cyclopentyl-1-methyl-3-[(3S)-1-methyl-2,5-dioxopyrrolidin-3-yl]urea
CID 164638967
(3S)-1-[2-(cyclooctylamino)-2-oxoethyl]-N-ethylpyrrolidine-3-carboxamide
CID 164642176
N-cyclooctyl-4-[3-(diethylamino)pyrrolidin-1-yl]-4-oxobutanamide
CID 46999061

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(octan-4-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-(octan-4-ylamino)pyrrolidine-2,5-dione (CID 106024203) is 1-cyclopentyl-3-(octan-4-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-(octan-4-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-(octan-4-ylamino)pyrrolidine-2,5-dione is CCCCC(CCC)NC1CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 1-cyclopentyl-3-(octan-4-ylamino)pyrrolidine-2,5-dione?
The InChIKey is XCMCLASUYXVAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-5-9-13(8-4-2)18-15-12-16(20)19(17(15)21)14-10-6-7-11-14/h13-15,18H,3-12H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-(octan-4-ylamino)pyrrolidine-2,5-dione?
1-cyclopentyl-3-(octan-4-ylamino)pyrrolidine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(octan-4-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 106024203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).