6-methoxy-1,4-oxazocane-2-carboxamide

C8H16N2O3 — CID 171841038

IUPAC6-methoxy-1,4-oxazocane-2-carboxamide
SMILESCOC1CCOC(C(N)=O)CNC1
InChIInChI=1S/C8H16N2O3/c1-12-6-2-3-13-7(8(9)11)5-10-4-6/h6-7,10H,2-5H2,1H3,(H2,9,11)
InChIKeyZMAVEEWVPIQTKV-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.13
Rot. Bonds2

About 6-methoxy-1,4-oxazocane-2-carboxamide

6-methoxy-1,4-oxazocane-2-carboxamide (PubChem CID 171841038) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-methoxy-1,4-oxazocane-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-1,4-oxazocane-2-carboxamide
PubChem CID171841038
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name6-methoxy-1,4-oxazocane-2-carboxamide
SMILESCOC1CCOC(C(N)=O)CNC1
InChIInChI=1S/C8H16N2O3/c1-12-6-2-3-13-7(8(9)11)5-10-4-6/h6-7,10H,2-5H2,1H3,(H2,9,11)
InChIKeyZMAVEEWVPIQTKV-UHFFFAOYSA-N
XLogP-1.13
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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azetidine;3-methoxypyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,4-oxazocane-2-carboxamide?
The IUPAC name of 6-methoxy-1,4-oxazocane-2-carboxamide (CID 171841038) is 6-methoxy-1,4-oxazocane-2-carboxamide.
What is the SMILES notation for 6-methoxy-1,4-oxazocane-2-carboxamide?
The canonical SMILES for 6-methoxy-1,4-oxazocane-2-carboxamide is COC1CCOC(C(N)=O)CNC1.
What is the InChIKey of 6-methoxy-1,4-oxazocane-2-carboxamide?
The InChIKey is ZMAVEEWVPIQTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-12-6-2-3-13-7(8(9)11)5-10-4-6/h6-7,10H,2-5H2,1H3,(H2,9,11).
What are the key properties of 6-methoxy-1,4-oxazocane-2-carboxamide?
6-methoxy-1,4-oxazocane-2-carboxamide has a molecular weight of 188.23 g/mol, XLogP of -1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,4-oxazocane-2-carboxamide is sourced from PubChem (CID 171841038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).