3-(oxan-4-yl)propanamide

C8H15NO2 — CID 57461476

IUPAC3-(oxan-4-yl)propanamide
SMILESNC(=O)CCC1CCOCC1
InChIInChI=1S/C8H15NO2/c9-8(10)2-1-7-3-5-11-6-4-7/h7H,1-6H2,(H2,9,10)
InChIKeyZSOPTFZNCYKBFK-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.68
Rot. Bonds3

About 3-(oxan-4-yl)propanamide

3-(oxan-4-yl)propanamide (PubChem CID 57461476) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-(oxan-4-yl)propanamide.

Molecular Properties

Compound Name3-(oxan-4-yl)propanamide
PubChem CID57461476
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-(oxan-4-yl)propanamide
SMILESNC(=O)CCC1CCOCC1
InChIInChI=1S/C8H15NO2/c9-8(10)2-1-7-3-5-11-6-4-7/h7H,1-6H2,(H2,9,10)
InChIKeyZSOPTFZNCYKBFK-UHFFFAOYSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 3-(oxan-4-yl)propanamide?
The IUPAC name of 3-(oxan-4-yl)propanamide (CID 57461476) is 3-(oxan-4-yl)propanamide.
What is the SMILES notation for 3-(oxan-4-yl)propanamide?
The canonical SMILES for 3-(oxan-4-yl)propanamide is NC(=O)CCC1CCOCC1.
What is the InChIKey of 3-(oxan-4-yl)propanamide?
The InChIKey is ZSOPTFZNCYKBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c9-8(10)2-1-7-3-5-11-6-4-7/h7H,1-6H2,(H2,9,10).
What are the key properties of 3-(oxan-4-yl)propanamide?
3-(oxan-4-yl)propanamide has a molecular weight of 157.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)propanamide is sourced from PubChem (CID 57461476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).