N-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide

C23H22N2O3 — CID 108998861

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide
SMILESO=C(CN(Cc1ccccc1)c1ccccc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C23H22N2O3/c26-23(24-14-19-11-12-21-22(13-19)28-17-27-21)16-25(20-9-5-2-6-10-20)15-18-7-3-1-4-8-18/h1-13H,14-17H2,(H,24,26)
InChIKeyXJHWZDCPHRHOMQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.74
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide (PubChem CID 108998861) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide
PubChem CID108998861
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide
SMILESO=C(CN(Cc1ccccc1)c1ccccc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C23H22N2O3/c26-23(24-14-19-11-12-21-22(13-19)28-17-27-21)16-25(20-9-5-2-6-10-20)15-18-7-3-1-4-8-18/h1-13H,14-17H2,(H,24,26)
InChIKeyXJHWZDCPHRHOMQ-UHFFFAOYSA-N
XLogP3.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113161193
2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 21380257
N-(1,3-benzodioxol-5-ylmethyl)-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 2973295
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-benzyl-ethylazanium
CID 8541323
N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(2-fluorophenyl)sulfonylamino]acetamide
CID 17436002
2-[N-acetyl-4-(diethylamino)anilino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113176854
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964172
N-(1,3-benzodioxol-5-ylmethyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 21372613
N-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]phenyl]-N-benzyl-3-phenylprop-2-enamide
CID 71957930
1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-benzylcyclopropane-1,1-dicarboxamide
CID 108974741
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 9261592
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide (CID 108998861) is N-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide is O=C(CN(Cc1ccccc1)c1ccccc1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide?
The InChIKey is XJHWZDCPHRHOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-23(24-14-19-11-12-21-22(13-19)28-17-27-21)16-25(20-9-5-2-6-10-20)15-18-7-3-1-4-8-18/h1-13H,14-17H2,(H,24,26).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide has a molecular weight of 374.44 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide is sourced from PubChem (CID 108998861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).