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

C17H16N2O4 — CID 110861232

IUPACN-(3-acetamidophenyl)-2-(1,3-benzodioxol-4-yl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cc2cccc3c2OCO3)c1
InChIInChI=1S/C17H16N2O4/c1-11(20)18-13-5-3-6-14(9-13)19-16(21)8-12-4-2-7-15-17(12)23-10-22-15/h2-7,9H,8,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyNDNVIJVCERSEHO-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.55
Rot. Bonds4

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

N-(3-acetamidophenyl)-2-(1,3-benzodioxol-4-yl)acetamide (PubChem CID 110861232) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(1,3-benzodioxol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(1,3-benzodioxol-4-yl)acetamide
PubChem CID110861232
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC NameN-(3-acetamidophenyl)-2-(1,3-benzodioxol-4-yl)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cc2cccc3c2OCO3)c1
InChIInChI=1S/C17H16N2O4/c1-11(20)18-13-5-3-6-14(9-13)19-16(21)8-12-4-2-7-15-17(12)23-10-22-15/h2-7,9H,8,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyNDNVIJVCERSEHO-UHFFFAOYSA-N
XLogP2.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-4-yl)-N-(2,4-dimethylphenyl)acetamide
CID 110857163
2-(1,3-benzodioxol-4-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110862145
N-(3-acetamidophenyl)-2-(2-chlorophenyl)acetamide
CID 7914432
N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide
CID 43088004
N-(3-acetamidophenyl)-2-(2-methylsulfonylphenyl)acetamide
CID 110439306
N-(3-acetamidophenyl)-2-(1,3-benzodioxol-5-ylsulfonylamino)acetamide
CID 112999713
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
N-(3-acetamidophenyl)-2-sulfanylacetamide
CID 60650093
N-(3-acetamidophenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914502
2-(1,3-benzodioxol-4-ylmethylamino)-N-propan-2-ylacetamide
CID 43583994
2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide
CID 40805167
3-(1,3-benzodioxol-4-ylmethylamino)-2,3-dimethylbutan-2-ol
CID 114155406

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(1,3-benzodioxol-4-yl)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(1,3-benzodioxol-4-yl)acetamide (CID 110861232) is N-(3-acetamidophenyl)-2-(1,3-benzodioxol-4-yl)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(1,3-benzodioxol-4-yl)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(1,3-benzodioxol-4-yl)acetamide is CC(=O)Nc1cccc(NC(=O)Cc2cccc3c2OCO3)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-(1,3-benzodioxol-4-yl)acetamide?
The InChIKey is NDNVIJVCERSEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-11(20)18-13-5-3-6-14(9-13)19-16(21)8-12-4-2-7-15-17(12)23-10-22-15/h2-7,9H,8,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-acetamidophenyl)-2-(1,3-benzodioxol-4-yl)acetamide?
N-(3-acetamidophenyl)-2-(1,3-benzodioxol-4-yl)acetamide has a molecular weight of 312.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(1,3-benzodioxol-4-yl)acetamide is sourced from PubChem (CID 110861232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).