2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide

C19H20N2O4 — CID 113178241

IUPAC2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide
SMILESCC(=O)N(CC(=O)NC(C)c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H20N2O4/c1-13(15-6-4-3-5-7-15)20-19(23)11-21(14(2)22)16-8-9-17-18(10-16)25-12-24-17/h3-10,13H,11-12H2,1-2H3,(H,20,23)
InChIKeyQNMREFGGYGRRGK-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.65
Rot. Bonds5

About 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide

2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide (PubChem CID 113178241) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide
PubChem CID113178241
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide
SMILESCC(=O)N(CC(=O)NC(C)c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H20N2O4/c1-13(15-6-4-3-5-7-15)20-19(23)11-21(14(2)22)16-8-9-17-18(10-16)25-12-24-17/h3-10,13H,11-12H2,1-2H3,(H,20,23)
InChIKeyQNMREFGGYGRRGK-UHFFFAOYSA-N
XLogP2.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-butan-2-ylacetamide
CID 113178218
2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 113179432
2-[N-acetyl-4-(diethylamino)anilino]-N-(1-phenylethyl)acetamide
CID 113176846
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide
CID 113178212
2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide
CID 113177113
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 51606566
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113178353
ethyl 4-[acetyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate
CID 113178821
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593211
3-[acetyl(1,3-benzodioxol-5-yl)amino]propanoic acid
CID 82320415
2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 46772235
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide
CID 113178447

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide (CID 113178241) is 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide is CC(=O)N(CC(=O)NC(C)c1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide?
The InChIKey is QNMREFGGYGRRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13(15-6-4-3-5-7-15)20-19(23)11-21(14(2)22)16-8-9-17-18(10-16)25-12-24-17/h3-10,13H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide?
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 113178241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).