4-butoxy-N-(pyridin-2-ylmethyl)benzamide

C17H20N2O2 — CID 2231736

IUPAC4-butoxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCCCCOc1ccc(C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C17H20N2O2/c1-2-3-12-21-16-9-7-14(8-10-16)17(20)19-13-15-6-4-5-11-18-15/h4-11H,2-3,12-13H2,1H3,(H,19,20)
InChIKeyPWIYFWSLDVHNCA-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.19
Rot. Bonds7

About 4-butoxy-N-(pyridin-2-ylmethyl)benzamide

4-butoxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 2231736) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-butoxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(pyridin-2-ylmethyl)benzamide
PubChem CID2231736
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-butoxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCCCCOc1ccc(C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C17H20N2O2/c1-2-3-12-21-16-9-7-14(8-10-16)17(20)19-13-15-6-4-5-11-18-15/h4-11H,2-3,12-13H2,1H3,(H,19,20)
InChIKeyPWIYFWSLDVHNCA-UHFFFAOYSA-N
XLogP3.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-butoxy-N-(pyridin-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-butoxy-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-butoxy-N-(pyridin-2-ylmethyl)benzamide (CID 2231736) is 4-butoxy-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-butoxy-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-butoxy-N-(pyridin-2-ylmethyl)benzamide is CCCCOc1ccc(C(=O)NCc2ccccn2)cc1.
What is the InChIKey of 4-butoxy-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is PWIYFWSLDVHNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-3-12-21-16-9-7-14(8-10-16)17(20)19-13-15-6-4-5-11-18-15/h4-11H,2-3,12-13H2,1H3,(H,19,20).
What are the key properties of 4-butoxy-N-(pyridin-2-ylmethyl)benzamide?
4-butoxy-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 284.36 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 2231736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).