3-hydroxy-5-(oxan-4-ylmethoxy)benzamide

C13H17NO4 — CID 59527022

IUPAC3-hydroxy-5-(oxan-4-ylmethoxy)benzamide
SMILESNC(=O)c1cc(O)cc(OCC2CCOCC2)c1
InChIInChI=1S/C13H17NO4/c14-13(16)10-5-11(15)7-12(6-10)18-8-9-1-3-17-4-2-9/h5-7,9,15H,1-4,8H2,(H2,14,16)
InChIKeyWCXLCELJVVAFIA-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.30
Rot. Bonds4

About 3-hydroxy-5-(oxan-4-ylmethoxy)benzamide

3-hydroxy-5-(oxan-4-ylmethoxy)benzamide (PubChem CID 59527022) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-hydroxy-5-(oxan-4-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-hydroxy-5-(oxan-4-ylmethoxy)benzamide
PubChem CID59527022
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name3-hydroxy-5-(oxan-4-ylmethoxy)benzamide
SMILESNC(=O)c1cc(O)cc(OCC2CCOCC2)c1
InChIInChI=1S/C13H17NO4/c14-13(16)10-5-11(15)7-12(6-10)18-8-9-1-3-17-4-2-9/h5-7,9,15H,1-4,8H2,(H2,14,16)
InChIKeyWCXLCELJVVAFIA-UHFFFAOYSA-N
XLogP1.30
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-5-(oxan-4-ylmethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(oxan-4-ylmethoxy)benzamide?
The IUPAC name of 3-hydroxy-5-(oxan-4-ylmethoxy)benzamide (CID 59527022) is 3-hydroxy-5-(oxan-4-ylmethoxy)benzamide.
What is the SMILES notation for 3-hydroxy-5-(oxan-4-ylmethoxy)benzamide?
The canonical SMILES for 3-hydroxy-5-(oxan-4-ylmethoxy)benzamide is NC(=O)c1cc(O)cc(OCC2CCOCC2)c1.
What is the InChIKey of 3-hydroxy-5-(oxan-4-ylmethoxy)benzamide?
The InChIKey is WCXLCELJVVAFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c14-13(16)10-5-11(15)7-12(6-10)18-8-9-1-3-17-4-2-9/h5-7,9,15H,1-4,8H2,(H2,14,16).
What are the key properties of 3-hydroxy-5-(oxan-4-ylmethoxy)benzamide?
3-hydroxy-5-(oxan-4-ylmethoxy)benzamide has a molecular weight of 251.28 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(oxan-4-ylmethoxy)benzamide is sourced from PubChem (CID 59527022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).