2-ethyloxane-4-carboxamide

C8H15NO2 — CID 127786919

IUPAC2-ethyloxane-4-carboxamide
SMILESCCC1CC(C(N)=O)CCO1
InChIInChI=1S/C8H15NO2/c1-2-7-5-6(8(9)10)3-4-11-7/h6-7H,2-5H2,1H3,(H2,9,10)
InChIKeyWGKIJPDPYOFDSN-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.68
Rot. Bonds2

About 2-ethyloxane-4-carboxamide

2-ethyloxane-4-carboxamide (PubChem CID 127786919) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-ethyloxane-4-carboxamide.

Molecular Properties

Compound Name2-ethyloxane-4-carboxamide
PubChem CID127786919
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-ethyloxane-4-carboxamide
SMILESCCC1CC(C(N)=O)CCO1
InChIInChI=1S/C8H15NO2/c1-2-7-5-6(8(9)10)3-4-11-7/h6-7H,2-5H2,1H3,(H2,9,10)
InChIKeyWGKIJPDPYOFDSN-UHFFFAOYSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyloxane-4-carboxamide?
The IUPAC name of 2-ethyloxane-4-carboxamide (CID 127786919) is 2-ethyloxane-4-carboxamide.
What is the SMILES notation for 2-ethyloxane-4-carboxamide?
The canonical SMILES for 2-ethyloxane-4-carboxamide is CCC1CC(C(N)=O)CCO1.
What is the InChIKey of 2-ethyloxane-4-carboxamide?
The InChIKey is WGKIJPDPYOFDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-7-5-6(8(9)10)3-4-11-7/h6-7H,2-5H2,1H3,(H2,9,10).
What are the key properties of 2-ethyloxane-4-carboxamide?
2-ethyloxane-4-carboxamide has a molecular weight of 157.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyloxane-4-carboxamide is sourced from PubChem (CID 127786919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).