3-(cyclohexylmethyl)-4-ethyl-1-(oxan-2-yloxy)azetidin-2-one

C17H29NO3 — CID 54244937

IUPAC3-(cyclohexylmethyl)-4-ethyl-1-(oxan-2-yloxy)azetidin-2-one
SMILESCCC1C(CC2CCCCC2)C(=O)N1OC1CCCCO1
InChIInChI=1S/C17H29NO3/c1-2-15-14(12-13-8-4-3-5-9-13)17(19)18(15)21-16-10-6-7-11-20-16/h13-16H,2-12H2,1H3
InChIKeyQSOXYVCUNMUDGS-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.65
Rot. Bonds5

About 3-(cyclohexylmethyl)-4-ethyl-1-(oxan-2-yloxy)azetidin-2-one

3-(cyclohexylmethyl)-4-ethyl-1-(oxan-2-yloxy)azetidin-2-one (PubChem CID 54244937) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-4-ethyl-1-(oxan-2-yloxy)azetidin-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-4-ethyl-1-(oxan-2-yloxy)azetidin-2-one
PubChem CID54244937
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name3-(cyclohexylmethyl)-4-ethyl-1-(oxan-2-yloxy)azetidin-2-one
SMILESCCC1C(CC2CCCCC2)C(=O)N1OC1CCCCO1
InChIInChI=1S/C17H29NO3/c1-2-15-14(12-13-8-4-3-5-9-13)17(19)18(15)21-16-10-6-7-11-20-16/h13-16H,2-12H2,1H3
InChIKeyQSOXYVCUNMUDGS-UHFFFAOYSA-N
XLogP3.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-4-ethyl-1-(oxan-2-yloxy)azetidin-2-one?
The IUPAC name of 3-(cyclohexylmethyl)-4-ethyl-1-(oxan-2-yloxy)azetidin-2-one (CID 54244937) is 3-(cyclohexylmethyl)-4-ethyl-1-(oxan-2-yloxy)azetidin-2-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-4-ethyl-1-(oxan-2-yloxy)azetidin-2-one?
The canonical SMILES for 3-(cyclohexylmethyl)-4-ethyl-1-(oxan-2-yloxy)azetidin-2-one is CCC1C(CC2CCCCC2)C(=O)N1OC1CCCCO1.
What is the InChIKey of 3-(cyclohexylmethyl)-4-ethyl-1-(oxan-2-yloxy)azetidin-2-one?
The InChIKey is QSOXYVCUNMUDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-2-15-14(12-13-8-4-3-5-9-13)17(19)18(15)21-16-10-6-7-11-20-16/h13-16H,2-12H2,1H3.
What are the key properties of 3-(cyclohexylmethyl)-4-ethyl-1-(oxan-2-yloxy)azetidin-2-one?
3-(cyclohexylmethyl)-4-ethyl-1-(oxan-2-yloxy)azetidin-2-one has a molecular weight of 295.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-4-ethyl-1-(oxan-2-yloxy)azetidin-2-one is sourced from PubChem (CID 54244937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).