4-ethyl-N-(oxolan-2-ylmethyl)benzamide

C14H19NO2 — CID 531872

IUPAC4-ethyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCCc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C14H19NO2/c1-2-11-5-7-12(8-6-11)14(16)15-10-13-4-3-9-17-13/h5-8,13H,2-4,9-10H2,1H3,(H,15,16)
InChIKeyADLVBZVVLUPSFD-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.16
Rot. Bonds4

About 4-ethyl-N-(oxolan-2-ylmethyl)benzamide

4-ethyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 531872) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-ethyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID531872
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-ethyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCCc1ccc(C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C14H19NO2/c1-2-11-5-7-12(8-6-11)14(16)15-10-13-4-3-9-17-13/h5-8,13H,2-4,9-10H2,1H3,(H,15,16)
InChIKeyADLVBZVVLUPSFD-UHFFFAOYSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-N-(oxolan-2-ylmethyl)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 4-ethyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-ethyl-N-(oxolan-2-ylmethyl)benzamide (CID 531872) is 4-ethyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-ethyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-ethyl-N-(oxolan-2-ylmethyl)benzamide is CCc1ccc(C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 4-ethyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is ADLVBZVVLUPSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-11-5-7-12(8-6-11)14(16)15-10-13-4-3-9-17-13/h5-8,13H,2-4,9-10H2,1H3,(H,15,16).
What are the key properties of 4-ethyl-N-(oxolan-2-ylmethyl)benzamide?
4-ethyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 531872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).