N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclohexyloxamide

C16H20N2O4 — CID 2174513

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N'-cyclohexyloxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C(=O)NC1CCCCC1
InChIInChI=1S/C16H20N2O4/c19-15(16(20)18-12-4-2-1-3-5-12)17-9-11-6-7-13-14(8-11)22-10-21-13/h6-8,12H,1-5,9-10H2,(H,17,19)(H,18,20)
InChIKeyWGFDKZSXIUYDSS-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.48
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclohexyloxamide

N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclohexyloxamide (PubChem CID 2174513) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclohexyloxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N'-cyclohexyloxamide
PubChem CID2174513
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N'-cyclohexyloxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C(=O)NC1CCCCC1
InChIInChI=1S/C16H20N2O4/c19-15(16(20)18-12-4-2-1-3-5-12)17-9-11-6-7-13-14(8-11)22-10-21-13/h6-8,12H,1-5,9-10H2,(H,17,19)(H,18,20)
InChIKeyWGFDKZSXIUYDSS-UHFFFAOYSA-N
XLogP1.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclohexyloxamide 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-ylmethyl)-N'-cyclohexyloxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclohexyloxamide (CID 2174513) is N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclohexyloxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclohexyloxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclohexyloxamide is O=C(NCc1ccc2c(c1)OCO2)C(=O)NC1CCCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclohexyloxamide?
The InChIKey is WGFDKZSXIUYDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-15(16(20)18-12-4-2-1-3-5-12)17-9-11-6-7-13-14(8-11)22-10-21-13/h6-8,12H,1-5,9-10H2,(H,17,19)(H,18,20).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclohexyloxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclohexyloxamide has a molecular weight of 304.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N'-cyclohexyloxamide is sourced from PubChem (CID 2174513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).