3-(3-ethoxypropylamino)azepan-2-one

C11H22N2O2 — CID 43199290

IUPAC3-(3-ethoxypropylamino)azepan-2-one
SMILESCCOCCCNC1CCCCNC1=O
InChIInChI=1S/C11H22N2O2/c1-2-15-9-5-8-12-10-6-3-4-7-13-11(10)14/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyIKPUENHLBSDFLK-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.67
Rot. Bonds6

About 3-(3-ethoxypropylamino)azepan-2-one

3-(3-ethoxypropylamino)azepan-2-one (PubChem CID 43199290) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(3-ethoxypropylamino)azepan-2-one.

Molecular Properties

Compound Name3-(3-ethoxypropylamino)azepan-2-one
PubChem CID43199290
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(3-ethoxypropylamino)azepan-2-one
SMILESCCOCCCNC1CCCCNC1=O
InChIInChI=1S/C11H22N2O2/c1-2-15-9-5-8-12-10-6-3-4-7-13-11(10)14/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyIKPUENHLBSDFLK-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
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 3-(3-ethoxypropylamino)azepan-2-one?
The IUPAC name of 3-(3-ethoxypropylamino)azepan-2-one (CID 43199290) is 3-(3-ethoxypropylamino)azepan-2-one.
What is the SMILES notation for 3-(3-ethoxypropylamino)azepan-2-one?
The canonical SMILES for 3-(3-ethoxypropylamino)azepan-2-one is CCOCCCNC1CCCCNC1=O.
What is the InChIKey of 3-(3-ethoxypropylamino)azepan-2-one?
The InChIKey is IKPUENHLBSDFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-15-9-5-8-12-10-6-3-4-7-13-11(10)14/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of 3-(3-ethoxypropylamino)azepan-2-one?
3-(3-ethoxypropylamino)azepan-2-one has a molecular weight of 214.31 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropylamino)azepan-2-one is sourced from PubChem (CID 43199290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).