4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one

C17H25NO2 — CID 116587719

IUPAC4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
SMILESCCCNC1COCC1C(=O)CCCc1ccccc1
InChIInChI=1S/C17H25NO2/c1-2-11-18-16-13-20-12-15(16)17(19)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,15-16,18H,2,6,9-13H2,1H3
InChIKeyXMZBLGSFSFGGSL-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.59
Rot. Bonds8

About 4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one

4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one (PubChem CID 116587719) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one.

Molecular Properties

Compound Name4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
PubChem CID116587719
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one
SMILESCCCNC1COCC1C(=O)CCCc1ccccc1
InChIInChI=1S/C17H25NO2/c1-2-11-18-16-13-20-12-15(16)17(19)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,15-16,18H,2,6,9-13H2,1H3
InChIKeyXMZBLGSFSFGGSL-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one?
The IUPAC name of 4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one (CID 116587719) is 4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one.
What is the SMILES notation for 4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one?
The canonical SMILES for 4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one is CCCNC1COCC1C(=O)CCCc1ccccc1.
What is the InChIKey of 4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one?
The InChIKey is XMZBLGSFSFGGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-11-18-16-13-20-12-15(16)17(19)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,15-16,18H,2,6,9-13H2,1H3.
What are the key properties of 4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one?
4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one has a molecular weight of 275.39 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[4-(propylamino)oxolan-3-yl]butan-1-one is sourced from PubChem (CID 116587719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).