2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

C19H20N2O4 — CID 113161193

IUPAC2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1
InChIInChI=1S/C19H20N2O4/c1-14(22)21(11-15-5-3-2-4-6-15)12-19(23)20-10-16-7-8-17-18(9-16)25-13-24-17/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyFBBVQPXSYUZCMS-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.08
Rot. Bonds6

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

2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (PubChem CID 113161193) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
PubChem CID113161193
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1
InChIInChI=1S/C19H20N2O4/c1-14(22)21(11-15-5-3-2-4-6-15)12-19(23)20-10-16-7-8-17-18(9-16)25-13-24-17/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyFBBVQPXSYUZCMS-UHFFFAOYSA-N
XLogP2.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113161585
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113162169
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 113163228
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 113163231
N-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide
CID 108998861
3-[acetyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 113120764
2-[acetyl(1-phenylethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113161974
2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 21380257
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964172
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113163211
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 113163276
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-benzyl-5-(2,5-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 51070748

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide?
The IUPAC name of 2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (CID 113161193) is 2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide?
The canonical SMILES for 2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide is CC(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1.
What is the InChIKey of 2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide?
The InChIKey is FBBVQPXSYUZCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-14(22)21(11-15-5-3-2-4-6-15)12-19(23)20-10-16-7-8-17-18(9-16)25-13-24-17/h2-9H,10-13H2,1H3,(H,20,23).
What are the key properties of 2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide?
2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide has a molecular weight of 340.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide is sourced from PubChem (CID 113161193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).