N-(1,3-benzodioxol-5-yl)-2-(2,4,5-trimethylphenoxy)acetamide

C18H19NO4 — CID 888358

IUPACN-(1,3-benzodioxol-5-yl)-2-(2,4,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2ccc3c(c2)OCO3)cc1C
InChIInChI=1S/C18H19NO4/c1-11-6-13(3)16(7-12(11)2)21-9-18(20)19-14-4-5-15-17(8-14)23-10-22-15/h4-8H,9-10H2,1-3H3,(H,19,20)
InChIKeyMBOHYAMGZXNJMY-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.36
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(2,4,5-trimethylphenoxy)acetamide

N-(1,3-benzodioxol-5-yl)-2-(2,4,5-trimethylphenoxy)acetamide (PubChem CID 888358) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2,4,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2,4,5-trimethylphenoxy)acetamide
PubChem CID888358
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2,4,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)Nc2ccc3c(c2)OCO3)cc1C
InChIInChI=1S/C18H19NO4/c1-11-6-13(3)16(7-12(11)2)21-9-18(20)19-14-4-5-15-17(8-14)23-10-22-15/h4-8H,9-10H2,1-3H3,(H,19,20)
InChIKeyMBOHYAMGZXNJMY-UHFFFAOYSA-N
XLogP3.36
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-yl)-2-(2,4,5-trimethylphenoxy)acetamide 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)-2-(2,4,5-trimethylphenoxy)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2,4,5-trimethylphenoxy)acetamide (CID 888358) is N-(1,3-benzodioxol-5-yl)-2-(2,4,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2,4,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2,4,5-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)Nc2ccc3c(c2)OCO3)cc1C.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2,4,5-trimethylphenoxy)acetamide?
The InChIKey is MBOHYAMGZXNJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-11-6-13(3)16(7-12(11)2)21-9-18(20)19-14-4-5-15-17(8-14)23-10-22-15/h4-8H,9-10H2,1-3H3,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2,4,5-trimethylphenoxy)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2,4,5-trimethylphenoxy)acetamide has a molecular weight of 313.35 g/mol, XLogP of 3.36, 4 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)-2-(2,4,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 888358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).