6-methoxy-N-[1-(2-methylpropyl)azetidin-3-yl]hexanamide

C14H28N2O2 — CID 170175574

IUPAC6-methoxy-N-[1-(2-methylpropyl)azetidin-3-yl]hexanamide
SMILESCOCCCCCC(=O)NC1CN(CC(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-12(2)9-16-10-13(11-16)15-14(17)7-5-4-6-8-18-3/h12-13H,4-11H2,1-3H3,(H,15,17)
InChIKeyKZYXLFNUNRNSDC-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds9

About 6-methoxy-N-[1-(2-methylpropyl)azetidin-3-yl]hexanamide

6-methoxy-N-[1-(2-methylpropyl)azetidin-3-yl]hexanamide (PubChem CID 170175574) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 6-methoxy-N-[1-(2-methylpropyl)azetidin-3-yl]hexanamide.

Molecular Properties

Compound Name6-methoxy-N-[1-(2-methylpropyl)azetidin-3-yl]hexanamide
PubChem CID170175574
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name6-methoxy-N-[1-(2-methylpropyl)azetidin-3-yl]hexanamide
SMILESCOCCCCCC(=O)NC1CN(CC(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-12(2)9-16-10-13(11-16)15-14(17)7-5-4-6-8-18-3/h12-13H,4-11H2,1-3H3,(H,15,17)
InChIKeyKZYXLFNUNRNSDC-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxy-N-[1-(2-methylpropyl)azetidin-3-yl]hexanamide?
The IUPAC name of 6-methoxy-N-[1-(2-methylpropyl)azetidin-3-yl]hexanamide (CID 170175574) is 6-methoxy-N-[1-(2-methylpropyl)azetidin-3-yl]hexanamide.
What is the SMILES notation for 6-methoxy-N-[1-(2-methylpropyl)azetidin-3-yl]hexanamide?
The canonical SMILES for 6-methoxy-N-[1-(2-methylpropyl)azetidin-3-yl]hexanamide is COCCCCCC(=O)NC1CN(CC(C)C)C1.
What is the InChIKey of 6-methoxy-N-[1-(2-methylpropyl)azetidin-3-yl]hexanamide?
The InChIKey is KZYXLFNUNRNSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2)9-16-10-13(11-16)15-14(17)7-5-4-6-8-18-3/h12-13H,4-11H2,1-3H3,(H,15,17).
What are the key properties of 6-methoxy-N-[1-(2-methylpropyl)azetidin-3-yl]hexanamide?
6-methoxy-N-[1-(2-methylpropyl)azetidin-3-yl]hexanamide has a molecular weight of 256.39 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[1-(2-methylpropyl)azetidin-3-yl]hexanamide is sourced from PubChem (CID 170175574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).