3-[3-(dibutylamino)propyl]-5-methyl-1,3-oxazolidine-2,4-dione

C15H28N2O3 — CID 3029635

IUPAC3-[3-(dibutylamino)propyl]-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCCCCN(CCCC)CCCN1C(=O)OC(C)C1=O
InChIInChI=1S/C15H28N2O3/c1-4-6-9-16(10-7-5-2)11-8-12-17-14(18)13(3)20-15(17)19/h13H,4-12H2,1-3H3
InChIKeyBWFNXEMXXNMEPZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.65
Rot. Bonds10

About 3-[3-(dibutylamino)propyl]-5-methyl-1,3-oxazolidine-2,4-dione

3-[3-(dibutylamino)propyl]-5-methyl-1,3-oxazolidine-2,4-dione (PubChem CID 3029635) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[3-(dibutylamino)propyl]-5-methyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(dibutylamino)propyl]-5-methyl-1,3-oxazolidine-2,4-dione
PubChem CID3029635
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[3-(dibutylamino)propyl]-5-methyl-1,3-oxazolidine-2,4-dione
SMILESCCCCN(CCCC)CCCN1C(=O)OC(C)C1=O
InChIInChI=1S/C15H28N2O3/c1-4-6-9-16(10-7-5-2)11-8-12-17-14(18)13(3)20-15(17)19/h13H,4-12H2,1-3H3
InChIKeyBWFNXEMXXNMEPZ-UHFFFAOYSA-N
XLogP2.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dibutylamino)propyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[3-(dibutylamino)propyl]-5-methyl-1,3-oxazolidine-2,4-dione (CID 3029635) is 3-[3-(dibutylamino)propyl]-5-methyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(dibutylamino)propyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[3-(dibutylamino)propyl]-5-methyl-1,3-oxazolidine-2,4-dione is CCCCN(CCCC)CCCN1C(=O)OC(C)C1=O.
What is the InChIKey of 3-[3-(dibutylamino)propyl]-5-methyl-1,3-oxazolidine-2,4-dione?
The InChIKey is BWFNXEMXXNMEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-6-9-16(10-7-5-2)11-8-12-17-14(18)13(3)20-15(17)19/h13H,4-12H2,1-3H3.
What are the key properties of 3-[3-(dibutylamino)propyl]-5-methyl-1,3-oxazolidine-2,4-dione?
3-[3-(dibutylamino)propyl]-5-methyl-1,3-oxazolidine-2,4-dione has a molecular weight of 284.40 g/mol, XLogP of 2.65, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dibutylamino)propyl]-5-methyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 3029635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).