1-octyl-3-(octylamino)pyrrolidine-2,5-dione

C20H38N2O2 — CID 512833

IUPAC1-octyl-3-(octylamino)pyrrolidine-2,5-dione
SMILESCCCCCCCCNC1CC(=O)N(CCCCCCCC)C1=O
InChIInChI=1S/C20H38N2O2/c1-3-5-7-9-11-13-15-21-18-17-19(23)22(20(18)24)16-14-12-10-8-6-4-2/h18,21H,3-17H2,1-2H3
InChIKeyRNWRCCIBTZHOFV-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.42
Rot. Bonds15

About 1-octyl-3-(octylamino)pyrrolidine-2,5-dione

1-octyl-3-(octylamino)pyrrolidine-2,5-dione (PubChem CID 512833) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-octyl-3-(octylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-octyl-3-(octylamino)pyrrolidine-2,5-dione
PubChem CID512833
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Name1-octyl-3-(octylamino)pyrrolidine-2,5-dione
SMILESCCCCCCCCNC1CC(=O)N(CCCCCCCC)C1=O
InChIInChI=1S/C20H38N2O2/c1-3-5-7-9-11-13-15-21-18-17-19(23)22(20(18)24)16-14-12-10-8-6-4-2/h18,21H,3-17H2,1-2H3
InChIKeyRNWRCCIBTZHOFV-UHFFFAOYSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyclopentyl-3-(octylamino)pyrrolidine-2,5-dione
CID 115567309
N-cyclopropyl-4-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]butanamide
CID 79394599
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]acetamide
CID 43636128
3-ethyl-1-nonylpyrrolidine-2,5-dione
CID 512846
1-pentyl-3-sulfanylpyrrolidine-2,5-dione
CID 143784409
1-cyclopentyl-3-(pentylamino)pyrrolidine-2,5-dione
CID 43637430
3-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]-N-ethylpropanamide
CID 113409809
2-[(2,5-dioxo-1-propylpyrrolidin-3-yl)amino]ethyl carbamate
CID 83211649
3-[2-(4-methylpiperazin-1-yl)ethylamino]-1-propylpyrrolidine-2,5-dione
CID 60923821
3-(2-butoxyethylamino)-1-ethylpyrrolidine-2,5-dione
CID 61171064
ethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione
CID 143784408
(3R)-1-(4-bromophenyl)-3-(dodecylamino)pyrrolidine-2,5-dione
CID 98066333

Frequently Asked Questions

What is the IUPAC name of 1-octyl-3-(octylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-octyl-3-(octylamino)pyrrolidine-2,5-dione (CID 512833) is 1-octyl-3-(octylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-octyl-3-(octylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-octyl-3-(octylamino)pyrrolidine-2,5-dione is CCCCCCCCNC1CC(=O)N(CCCCCCCC)C1=O.
What is the InChIKey of 1-octyl-3-(octylamino)pyrrolidine-2,5-dione?
The InChIKey is RNWRCCIBTZHOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O2/c1-3-5-7-9-11-13-15-21-18-17-19(23)22(20(18)24)16-14-12-10-8-6-4-2/h18,21H,3-17H2,1-2H3.
What are the key properties of 1-octyl-3-(octylamino)pyrrolidine-2,5-dione?
1-octyl-3-(octylamino)pyrrolidine-2,5-dione has a molecular weight of 338.54 g/mol, XLogP of 4.42, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-3-(octylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 512833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).