3-[4-(dibutylamino)butyl]-1,3-oxazolidine-2,4-dione

C15H28N2O3 — CID 3029634

IUPAC3-[4-(dibutylamino)butyl]-1,3-oxazolidine-2,4-dione
SMILESCCCCN(CCCC)CCCCN1C(=O)COC1=O
InChIInChI=1S/C15H28N2O3/c1-3-5-9-16(10-6-4-2)11-7-8-12-17-14(18)13-20-15(17)19/h3-13H2,1-2H3
InChIKeyFJFCBERSQZIIGT-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.65
Rot. Bonds11

About 3-[4-(dibutylamino)butyl]-1,3-oxazolidine-2,4-dione

3-[4-(dibutylamino)butyl]-1,3-oxazolidine-2,4-dione (PubChem CID 3029634) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[4-(dibutylamino)butyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(dibutylamino)butyl]-1,3-oxazolidine-2,4-dione
PubChem CID3029634
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[4-(dibutylamino)butyl]-1,3-oxazolidine-2,4-dione
SMILESCCCCN(CCCC)CCCCN1C(=O)COC1=O
InChIInChI=1S/C15H28N2O3/c1-3-5-9-16(10-6-4-2)11-7-8-12-17-14(18)13-20-15(17)19/h3-13H2,1-2H3
InChIKeyFJFCBERSQZIIGT-UHFFFAOYSA-N
XLogP2.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ammonium, (3-(2,4-dioxo-3-oxazolidinyl)propyl)trimethyl-, iodide
CID 52029
N-Hexyloxazolidin-2,4-dione
CID 10965219
2,4-Oxazolidinedione, 3-pentyl-
CID 66862802
3-(2-Methoxyacetyl)-1,3-oxazolidin-2-one
CID 12173667
3-(2,4-Dioxo-1,3-oxazolidin-3-yl)propyl-trimethylazanium
CID 52030
4-(3-(2,4-Dioxo-3-oxazolidinyl)propyl)-4-methylmorpholinium iodide
CID 3029465
3-(3-(Dibutylamino)propyl)-5-methyl-2,4-oxazolidinedione
CID 3029635
3-(4-(Diethylamino)butyl)-2,4-oxazolidinedione
CID 3029636
3-(3-(Diethylamino)propyl)-5-methyl-2,4-oxazolidinedione
CID 3029637
3-(3-(Dimethylamino)propyl)-5-methyl-2,4-oxazolidinedione
CID 3029639
2,4-Oxazolidinedione, 3-isobutyl-5-methyl-
CID 3029670
1-(3-(2,4-Dioxo-3-oxazolidinyl)propyl)-1-methylpyrrolidinium iodide
CID 3031601

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dibutylamino)butyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[4-(dibutylamino)butyl]-1,3-oxazolidine-2,4-dione (CID 3029634) is 3-[4-(dibutylamino)butyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(dibutylamino)butyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[4-(dibutylamino)butyl]-1,3-oxazolidine-2,4-dione is CCCCN(CCCC)CCCCN1C(=O)COC1=O.
What is the InChIKey of 3-[4-(dibutylamino)butyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is FJFCBERSQZIIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-5-9-16(10-6-4-2)11-7-8-12-17-14(18)13-20-15(17)19/h3-13H2,1-2H3.
What are the key properties of 3-[4-(dibutylamino)butyl]-1,3-oxazolidine-2,4-dione?
3-[4-(dibutylamino)butyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 284.40 g/mol, XLogP of 2.65, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dibutylamino)butyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 3029634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).