7-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]heptanamide

C16H28N2O2 — CID 86274239

IUPAC7-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]heptanamide
SMILESO=C(CCCCCCC1CCCCC1)N[C@H]1CNC1=O
InChIInChI=1S/C16H28N2O2/c19-15(18-14-12-17-16(14)20)11-7-2-1-4-8-13-9-5-3-6-10-13/h13-14H,1-12H2,(H,17,20)(H,18,19)/t14-/m0/s1
InChIKeyNXDKSBMRENGOER-AWEZNQCLSA-N
MW280.41 g/mol
LogP2.52
Rot. Bonds8

About 7-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]heptanamide

7-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]heptanamide (PubChem CID 86274239) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 7-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]heptanamide.

Molecular Properties

Compound Name7-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]heptanamide
PubChem CID86274239
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name7-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]heptanamide
SMILESO=C(CCCCCCC1CCCCC1)N[C@H]1CNC1=O
InChIInChI=1S/C16H28N2O2/c19-15(18-14-12-17-16(14)20)11-7-2-1-4-8-13-9-5-3-6-10-13/h13-14H,1-12H2,(H,17,20)(H,18,19)/t14-/m0/s1
InChIKeyNXDKSBMRENGOER-AWEZNQCLSA-N
XLogP2.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.52
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 7-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]heptanamide?
The IUPAC name of 7-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]heptanamide (CID 86274239) is 7-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]heptanamide.
What is the SMILES notation for 7-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]heptanamide?
The canonical SMILES for 7-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]heptanamide is O=C(CCCCCCC1CCCCC1)N[C@H]1CNC1=O.
What is the InChIKey of 7-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]heptanamide?
The InChIKey is NXDKSBMRENGOER-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28N2O2/c19-15(18-14-12-17-16(14)20)11-7-2-1-4-8-13-9-5-3-6-10-13/h13-14H,1-12H2,(H,17,20)(H,18,19)/t14-/m0/s1.
What are the key properties of 7-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]heptanamide?
7-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]heptanamide has a molecular weight of 280.41 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]heptanamide is sourced from PubChem (CID 86274239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).