N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(N-methylanilino)benzamide

C23H22N2O3 — CID 71894359

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(N-methylanilino)benzamide
SMILESCC(NC(=O)c1ccccc1N(C)c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H22N2O3/c1-16(17-12-13-21-22(14-17)28-15-27-21)24-23(26)19-10-6-7-11-20(19)25(2)18-8-4-3-5-9-18/h3-14,16H,15H2,1-2H3,(H,24,26)
InChIKeyIANAIGRPPQNBHR-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.67
Rot. Bonds5

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(N-methylanilino)benzamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(N-methylanilino)benzamide (PubChem CID 71894359) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(N-methylanilino)benzamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(N-methylanilino)benzamide
PubChem CID71894359
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(N-methylanilino)benzamide
SMILESCC(NC(=O)c1ccccc1N(C)c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H22N2O3/c1-16(17-12-13-21-22(14-17)28-15-27-21)24-23(26)19-10-6-7-11-20(19)25(2)18-8-4-3-5-9-18/h3-14,16H,15H2,1-2H3,(H,24,26)
InChIKeyIANAIGRPPQNBHR-UHFFFAOYSA-N
XLogP4.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-phenylbenzamide
CID 56725272
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18143629
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 133165110
N-[1-[1-(1,3-benzodioxol-5-yl)ethylamino]-1-oxopropan-2-yl]-2-chlorobenzamide
CID 18143474
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzothiophene-3-carboxamide
CID 24610243
2-[benzenesulfonyl(benzyl)amino]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 133165070
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxochromene-3-carboxamide
CID 18143517
N-[1-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 55501426
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-fluorobenzamide
CID 4653721
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide
CID 51323702
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chlorofuran-3-carboxamide
CID 106685734
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 55501486

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(N-methylanilino)benzamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(N-methylanilino)benzamide (CID 71894359) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(N-methylanilino)benzamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(N-methylanilino)benzamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(N-methylanilino)benzamide is CC(NC(=O)c1ccccc1N(C)c1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(N-methylanilino)benzamide?
The InChIKey is IANAIGRPPQNBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16(17-12-13-21-22(14-17)28-15-27-21)24-23(26)19-10-6-7-11-20(19)25(2)18-8-4-3-5-9-18/h3-14,16H,15H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(N-methylanilino)benzamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(N-methylanilino)benzamide has a molecular weight of 374.44 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(N-methylanilino)benzamide is sourced from PubChem (CID 71894359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).