N-benzyl-3-(oxolan-2-yl)butanamide

C15H21NO2 — CID 2837669

IUPACN-benzyl-3-(oxolan-2-yl)butanamide
SMILESCC(CC(=O)NCc1ccccc1)C1CCCO1
InChIInChI=1S/C15H21NO2/c1-12(14-8-5-9-18-14)10-15(17)16-11-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,16,17)
InChIKeyJCBJRIFKIORSDK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.51
Rot. Bonds5

About N-benzyl-3-(oxolan-2-yl)butanamide

N-benzyl-3-(oxolan-2-yl)butanamide (PubChem CID 2837669) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-benzyl-3-(oxolan-2-yl)butanamide.

Molecular Properties

Compound NameN-benzyl-3-(oxolan-2-yl)butanamide
PubChem CID2837669
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-benzyl-3-(oxolan-2-yl)butanamide
SMILESCC(CC(=O)NCc1ccccc1)C1CCCO1
InChIInChI=1S/C15H21NO2/c1-12(14-8-5-9-18-14)10-15(17)16-11-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,16,17)
InChIKeyJCBJRIFKIORSDK-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-3-(oxolan-2-yl)butanamide 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 N-benzyl-3-(oxolan-2-yl)butanamide?
The IUPAC name of N-benzyl-3-(oxolan-2-yl)butanamide (CID 2837669) is N-benzyl-3-(oxolan-2-yl)butanamide.
What is the SMILES notation for N-benzyl-3-(oxolan-2-yl)butanamide?
The canonical SMILES for N-benzyl-3-(oxolan-2-yl)butanamide is CC(CC(=O)NCc1ccccc1)C1CCCO1.
What is the InChIKey of N-benzyl-3-(oxolan-2-yl)butanamide?
The InChIKey is JCBJRIFKIORSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(14-8-5-9-18-14)10-15(17)16-11-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,16,17).
What are the key properties of N-benzyl-3-(oxolan-2-yl)butanamide?
N-benzyl-3-(oxolan-2-yl)butanamide has a molecular weight of 247.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(oxolan-2-yl)butanamide is sourced from PubChem (CID 2837669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).