4-(oxolan-2-ylmethoxy)benzamide

C12H15NO3 — CID 4885432

IUPAC4-(oxolan-2-ylmethoxy)benzamide
SMILESNC(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C12H15NO3/c13-12(14)9-3-5-10(6-4-9)16-8-11-2-1-7-15-11/h3-6,11H,1-2,7-8H2,(H2,13,14)
InChIKeyNBXYEYDZHYVHFD-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.34
Rot. Bonds4

About 4-(oxolan-2-ylmethoxy)benzamide

4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 4885432) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)benzamide
PubChem CID4885432
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name4-(oxolan-2-ylmethoxy)benzamide
SMILESNC(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C12H15NO3/c13-12(14)9-3-5-10(6-4-9)16-8-11-2-1-7-15-11/h3-6,11H,1-2,7-8H2,(H2,13,14)
InChIKeyNBXYEYDZHYVHFD-UHFFFAOYSA-N
XLogP1.34
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of 4-(oxolan-2-ylmethoxy)benzamide (CID 4885432) is 4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)benzamide is NC(=O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is NBXYEYDZHYVHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c13-12(14)9-3-5-10(6-4-9)16-8-11-2-1-7-15-11/h3-6,11H,1-2,7-8H2,(H2,13,14).
What are the key properties of 4-(oxolan-2-ylmethoxy)benzamide?
4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 221.26 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 4885432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).