N-(1,3-benzodioxol-5-yl)-4-propoxybenzamide

C17H17NO4 — CID 2225277

IUPACN-(1,3-benzodioxol-5-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H17NO4/c1-2-9-20-14-6-3-12(4-7-14)17(19)18-13-5-8-15-16(10-13)22-11-21-15/h3-8,10H,2,9,11H2,1H3,(H,18,19)
InChIKeyCSEZBKZLWAWEHQ-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.46
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-4-propoxybenzamide

N-(1,3-benzodioxol-5-yl)-4-propoxybenzamide (PubChem CID 2225277) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-propoxybenzamide
PubChem CID2225277
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H17NO4/c1-2-9-20-14-6-3-12(4-7-14)17(19)18-13-5-8-15-16(10-13)22-11-21-15/h3-8,10H,2,9,11H2,1H3,(H,18,19)
InChIKeyCSEZBKZLWAWEHQ-UHFFFAOYSA-N
XLogP3.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-yl)-4-propoxybenzamide 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-(1,3-benzodioxol-5-yl)-4-propoxybenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-propoxybenzamide (CID 2225277) is N-(1,3-benzodioxol-5-yl)-4-propoxybenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-propoxybenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-propoxybenzamide?
The InChIKey is CSEZBKZLWAWEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-2-9-20-14-6-3-12(4-7-14)17(19)18-13-5-8-15-16(10-13)22-11-21-15/h3-8,10H,2,9,11H2,1H3,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-propoxybenzamide?
N-(1,3-benzodioxol-5-yl)-4-propoxybenzamide has a molecular weight of 299.33 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-4-propoxybenzamide is sourced from PubChem (CID 2225277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).