N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide

C16H16N2O3 — CID 43088004

IUPACN-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C16H16N2O3/c1-11(19)18-14-4-2-3-13(8-14)17-9-12-5-6-15-16(7-12)21-10-20-15/h2-8,17H,9-10H2,1H3,(H,18,19)
InChIKeyKXXXTYHJMYQYRB-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.99
Rot. Bonds4

About N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide

N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide (PubChem CID 43088004) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide
PubChem CID43088004
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C16H16N2O3/c1-11(19)18-14-4-2-3-13(8-14)17-9-12-5-6-15-16(7-12)21-10-20-15/h2-8,17H,9-10H2,1H3,(H,18,19)
InChIKeyKXXXTYHJMYQYRB-UHFFFAOYSA-N
XLogP2.99
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-(1,3-benzodioxol-5-yl)ethylcarbamoylamino]phenyl]acetamide
CID 113217399
N-[3-[[[N-(1,3-benzodioxol-5-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 111843827
N-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]phenyl]acetamide
CID 17462314
1-(3-acetylphenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea
CID 8626665
3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide
CID 51190200
N'-(3-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)oxamide
CID 2989792
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
4-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109212459
N-[3-[[[N-[2-(1,3-benzodioxol-5-yl)ethyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 111379540
2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide
CID 40805167
N-(3-acetylphenyl)-6-(1,3-benzodioxol-5-ylmethylamino)pyridine-3-carboxamide
CID 109157444
5-(1,3-benzodioxol-5-ylmethylamino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109190687

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide?
The IUPAC name of N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide (CID 43088004) is N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide is CC(=O)Nc1cccc(NCc2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide?
The InChIKey is KXXXTYHJMYQYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11(19)18-14-4-2-3-13(8-14)17-9-12-5-6-15-16(7-12)21-10-20-15/h2-8,17H,9-10H2,1H3,(H,18,19).
What are the key properties of N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide?
N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide has a molecular weight of 284.32 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 43088004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).