(3R,4S)-4-cyclohexyl-1,3-diphenylazetidin-2-one

C21H23NO — CID 102205609

IUPAC(3R,4S)-4-cyclohexyl-1,3-diphenylazetidin-2-one
SMILESO=C1[C@H](c2ccccc2)[C@H](C2CCCCC2)N1c1ccccc1
InChIInChI=1S/C21H23NO/c23-21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22(21)18-14-8-3-9-15-18/h1,3-5,8-11,14-15,17,19-20H,2,6-7,12-13H2/t19-,20+/m1/s1
InChIKeyHGWMJOLRCNBBHW-UXHICEINSA-N
MW305.42 g/mol
LogP4.77
Rot. Bonds3

About (3R,4S)-4-cyclohexyl-1,3-diphenylazetidin-2-one

(3R,4S)-4-cyclohexyl-1,3-diphenylazetidin-2-one (PubChem CID 102205609) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (3R,4S)-4-cyclohexyl-1,3-diphenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-cyclohexyl-1,3-diphenylazetidin-2-one
PubChem CID102205609
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(3R,4S)-4-cyclohexyl-1,3-diphenylazetidin-2-one
SMILESO=C1[C@H](c2ccccc2)[C@H](C2CCCCC2)N1c1ccccc1
InChIInChI=1S/C21H23NO/c23-21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22(21)18-14-8-3-9-15-18/h1,3-5,8-11,14-15,17,19-20H,2,6-7,12-13H2/t19-,20+/m1/s1
InChIKeyHGWMJOLRCNBBHW-UXHICEINSA-N
XLogP4.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-cyclohexyl-1,3-diphenylazetidin-2-one?
The IUPAC name of (3R,4S)-4-cyclohexyl-1,3-diphenylazetidin-2-one (CID 102205609) is (3R,4S)-4-cyclohexyl-1,3-diphenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-cyclohexyl-1,3-diphenylazetidin-2-one?
The canonical SMILES for (3R,4S)-4-cyclohexyl-1,3-diphenylazetidin-2-one is O=C1[C@H](c2ccccc2)[C@H](C2CCCCC2)N1c1ccccc1.
What is the InChIKey of (3R,4S)-4-cyclohexyl-1,3-diphenylazetidin-2-one?
The InChIKey is HGWMJOLRCNBBHW-UXHICEINSA-N. The full InChI is InChI=1S/C21H23NO/c23-21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)22(21)18-14-8-3-9-15-18/h1,3-5,8-11,14-15,17,19-20H,2,6-7,12-13H2/t19-,20+/m1/s1.
What are the key properties of (3R,4S)-4-cyclohexyl-1,3-diphenylazetidin-2-one?
(3R,4S)-4-cyclohexyl-1,3-diphenylazetidin-2-one has a molecular weight of 305.42 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-cyclohexyl-1,3-diphenylazetidin-2-one is sourced from PubChem (CID 102205609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).