6-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]hexanamide

C15H26N2O2 — CID 86273996

IUPAC6-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]hexanamide
SMILESO=C(CCCCCC1CCCCC1)N[C@H]1CNC1=O
InChIInChI=1S/C15H26N2O2/c18-14(17-13-11-16-15(13)19)10-6-2-5-9-12-7-3-1-4-8-12/h12-13H,1-11H2,(H,16,19)(H,17,18)/t13-/m0/s1
InChIKeyACAFKWURIGPQIY-ZDUSSCGKSA-N
MW266.38 g/mol
LogP2.13
Rot. Bonds7

About 6-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]hexanamide

6-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]hexanamide (PubChem CID 86273996) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 6-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]hexanamide.

Molecular Properties

Compound Name6-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]hexanamide
PubChem CID86273996
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name6-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]hexanamide
SMILESO=C(CCCCCC1CCCCC1)N[C@H]1CNC1=O
InChIInChI=1S/C15H26N2O2/c18-14(17-13-11-16-15(13)19)10-6-2-5-9-12-7-3-1-4-8-12/h12-13H,1-11H2,(H,16,19)(H,17,18)/t13-/m0/s1
InChIKeyACAFKWURIGPQIY-ZDUSSCGKSA-N
XLogP2.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]hexanamide?
The IUPAC name of 6-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]hexanamide (CID 86273996) is 6-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]hexanamide.
What is the SMILES notation for 6-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]hexanamide?
The canonical SMILES for 6-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]hexanamide is O=C(CCCCCC1CCCCC1)N[C@H]1CNC1=O.
What is the InChIKey of 6-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]hexanamide?
The InChIKey is ACAFKWURIGPQIY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-14(17-13-11-16-15(13)19)10-6-2-5-9-12-7-3-1-4-8-12/h12-13H,1-11H2,(H,16,19)(H,17,18)/t13-/m0/s1.
What are the key properties of 6-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]hexanamide?
6-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]hexanamide has a molecular weight of 266.38 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]hexanamide is sourced from PubChem (CID 86273996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).