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

C17H16N2O4 — CID 110767424

IUPACN-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H16N2O4/c1-11(20)18-13-3-5-14(6-4-13)19-17(21)9-12-2-7-15-16(8-12)23-10-22-15/h2-8H,9-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyQKGHTQWTIYGVFA-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.55
Rot. Bonds4

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

N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 110767424) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
PubChem CID110767424
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC NameN-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H16N2O4/c1-11(20)18-13-3-5-14(6-4-13)19-17(21)9-12-2-7-15-16(8-12)23-10-22-15/h2-8H,9-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyQKGHTQWTIYGVFA-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

N-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]phenyl]acetamide
CID 17462314
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
2-(1,3-benzodioxol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110860892
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608733
2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide
CID 40805167
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 18076854
N-(4-acetylphenyl)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetamide
CID 8746036
2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide
CID 116847425
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110606294
N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide
CID 43088004
N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 24641729
N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 18154162

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide (CID 110767424) is N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide is CC(=O)Nc1ccc(NC(=O)Cc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is QKGHTQWTIYGVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-11(20)18-13-3-5-14(6-4-13)19-17(21)9-12-2-7-15-16(8-12)23-10-22-15/h2-8H,9-10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide?
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-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-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 110767424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).