N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide

C24H24N2O3 — CID 84556572

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C24H24N2O3/c1-2-19-7-3-4-9-21(19)25-14-17-6-5-8-20(12-17)24(27)26-15-18-10-11-22-23(13-18)29-16-28-22/h3-13,25H,2,14-16H2,1H3,(H,26,27)
InChIKeyVLKSLPXZDQHYGF-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.52
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide

N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide (PubChem CID 84556572) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide
PubChem CID84556572
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C24H24N2O3/c1-2-19-7-3-4-9-21(19)25-14-17-6-5-8-20(12-17)24(27)26-15-18-10-11-22-23(13-18)29-16-28-22/h3-13,25H,2,14-16H2,1H3,(H,26,27)
InChIKeyVLKSLPXZDQHYGF-UHFFFAOYSA-N
XLogP4.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051273
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide
CID 108947205
N-(1,3-benzodioxol-5-ylmethyl)-3-(diethylsulfamoyl)benzamide
CID 2082413
3-[[[N-(1,3-benzodioxol-5-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-N-propylbenzamide;hydroiodide
CID 111845724
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methylbenzoyl)amino]benzamide
CID 8873849
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethylbenzoyl)amino]benzamide
CID 8873844
N-[4-(diethylamino)butyl]-3-[(2-ethylanilino)methyl]benzamide
CID 84556601
N-(1,3-benzodioxol-5-ylmethyl)-4-tert-butylbenzamide
CID 673797
1-N-(1,3-benzodioxol-5-ylmethyl)-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976442
3-[[[N-(1,3-benzodioxol-5-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-N-methylbenzamide
CID 111845727
N-(1,3-benzodioxol-5-ylmethyl)-4-propylbenzamide
CID 2811298
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
CID 670710

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide (CID 84556572) is N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide is CCc1ccccc1NCc1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide?
The InChIKey is VLKSLPXZDQHYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-2-19-7-3-4-9-21(19)25-14-17-6-5-8-20(12-17)24(27)26-15-18-10-11-22-23(13-18)29-16-28-22/h3-13,25H,2,14-16H2,1H3,(H,26,27).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-ethylanilino)methyl]benzamide is sourced from PubChem (CID 84556572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).