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

C21H25NO — CID 70304268

IUPAC1,4-diphenyl-3,3-dipropylazetidin-2-one
SMILESCCCC1(CCC)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C21H25NO/c1-3-15-21(16-4-2)19(17-11-7-5-8-12-17)22(20(21)23)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
InChIKeyBIOQMSSGMOUKEA-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.36
Rot. Bonds6

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

1,4-diphenyl-3,3-dipropylazetidin-2-one (PubChem CID 70304268) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 1,4-diphenyl-3,3-dipropylazetidin-2-one.

Molecular Properties

Compound Name1,4-diphenyl-3,3-dipropylazetidin-2-one
PubChem CID70304268
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name1,4-diphenyl-3,3-dipropylazetidin-2-one
SMILESCCCC1(CCC)C(=O)N(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C21H25NO/c1-3-15-21(16-4-2)19(17-11-7-5-8-12-17)22(20(21)23)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
InChIKeyBIOQMSSGMOUKEA-UHFFFAOYSA-N
XLogP5.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-diphenyl-3,3-dipropylazetidin-2-one?
The IUPAC name of 1,4-diphenyl-3,3-dipropylazetidin-2-one (CID 70304268) is 1,4-diphenyl-3,3-dipropylazetidin-2-one.
What is the SMILES notation for 1,4-diphenyl-3,3-dipropylazetidin-2-one?
The canonical SMILES for 1,4-diphenyl-3,3-dipropylazetidin-2-one is CCCC1(CCC)C(=O)N(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 1,4-diphenyl-3,3-dipropylazetidin-2-one?
The InChIKey is BIOQMSSGMOUKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-3-15-21(16-4-2)19(17-11-7-5-8-12-17)22(20(21)23)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3.
What are the key properties of 1,4-diphenyl-3,3-dipropylazetidin-2-one?
1,4-diphenyl-3,3-dipropylazetidin-2-one has a molecular weight of 307.44 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenyl-3,3-dipropylazetidin-2-one is sourced from PubChem (CID 70304268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).