1,4-diphenyl-3-propylazetidin-2-one

C18H19NO — CID 3533883

IUPAC1,4-diphenyl-3-propylazetidin-2-one
SMILESCCCC1C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H19NO/c1-2-9-16-17(14-10-5-3-6-11-14)19(18(16)20)15-12-7-4-8-13-15/h3-8,10-13,16-17H,2,9H2,1H3
InChIKeyPBZSIBUXORWFTB-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.19
Rot. Bonds4

About 1,4-diphenyl-3-propylazetidin-2-one

1,4-diphenyl-3-propylazetidin-2-one (PubChem CID 3533883) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1,4-diphenyl-3-propylazetidin-2-one.

Molecular Properties

Compound Name1,4-diphenyl-3-propylazetidin-2-one
PubChem CID3533883
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1,4-diphenyl-3-propylazetidin-2-one
SMILESCCCC1C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H19NO/c1-2-9-16-17(14-10-5-3-6-11-14)19(18(16)20)15-12-7-4-8-13-15/h3-8,10-13,16-17H,2,9H2,1H3
InChIKeyPBZSIBUXORWFTB-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-3-propylazetidin-2-one?
The IUPAC name of 1,4-diphenyl-3-propylazetidin-2-one (CID 3533883) is 1,4-diphenyl-3-propylazetidin-2-one.
What is the SMILES notation for 1,4-diphenyl-3-propylazetidin-2-one?
The canonical SMILES for 1,4-diphenyl-3-propylazetidin-2-one is CCCC1C(=O)N(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 1,4-diphenyl-3-propylazetidin-2-one?
The InChIKey is PBZSIBUXORWFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-9-16-17(14-10-5-3-6-11-14)19(18(16)20)15-12-7-4-8-13-15/h3-8,10-13,16-17H,2,9H2,1H3.
What are the key properties of 1,4-diphenyl-3-propylazetidin-2-one?
1,4-diphenyl-3-propylazetidin-2-one has a molecular weight of 265.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyl-3-propylazetidin-2-one is sourced from PubChem (CID 3533883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).