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

C11H20N2O3 — CID 3029636

IUPAC3-[4-(diethylamino)butyl]-1,3-oxazolidine-2,4-dione
SMILESCCN(CC)CCCCN1C(=O)COC1=O
InChIInChI=1S/C11H20N2O3/c1-3-12(4-2)7-5-6-8-13-10(14)9-16-11(13)15/h3-9H2,1-2H3
InChIKeyBIGLNKQSTIMEJF-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.09
Rot. Bonds7

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

3-[4-(diethylamino)butyl]-1,3-oxazolidine-2,4-dione (PubChem CID 3029636) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[4-(diethylamino)butyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(diethylamino)butyl]-1,3-oxazolidine-2,4-dione
PubChem CID3029636
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[4-(diethylamino)butyl]-1,3-oxazolidine-2,4-dione
SMILESCCN(CC)CCCCN1C(=O)COC1=O
InChIInChI=1S/C11H20N2O3/c1-3-12(4-2)7-5-6-8-13-10(14)9-16-11(13)15/h3-9H2,1-2H3
InChIKeyBIGLNKQSTIMEJF-UHFFFAOYSA-N
XLogP1.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.09
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-(4-(Dibutylamino)butyl)-2,4-oxazolidinedione
CID 3029634
3-(3-(Dibutylamino)propyl)-5-methyl-2,4-oxazolidinedione
CID 3029635
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-(diethylamino)butyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[4-(diethylamino)butyl]-1,3-oxazolidine-2,4-dione (CID 3029636) is 3-[4-(diethylamino)butyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[4-(diethylamino)butyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[4-(diethylamino)butyl]-1,3-oxazolidine-2,4-dione is CCN(CC)CCCCN1C(=O)COC1=O.
What is the InChIKey of 3-[4-(diethylamino)butyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is BIGLNKQSTIMEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-12(4-2)7-5-6-8-13-10(14)9-16-11(13)15/h3-9H2,1-2H3.
What are the key properties of 3-[4-(diethylamino)butyl]-1,3-oxazolidine-2,4-dione?
3-[4-(diethylamino)butyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 228.29 g/mol, XLogP of 1.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)butyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 3029636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).