2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide

C24H24N2O3 — CID 8746784

IUPAC2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Cc1ccccc1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C24H24N2O3/c1-26(15-19-11-12-22-23(14-19)29-17-28-22)16-24(27)25-21-10-6-5-9-20(21)13-18-7-3-2-4-8-18/h2-12,14H,13,15-17H2,1H3,(H,25,27)
InChIKeyURCZWKDBOCGCMU-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.08
Rot. Bonds7

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

2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide (PubChem CID 8746784) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide.

Molecular Properties

Compound Name2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide
PubChem CID8746784
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Cc1ccccc1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C24H24N2O3/c1-26(15-19-11-12-22-23(14-19)29-17-28-22)16-24(27)25-21-10-6-5-9-20(21)13-18-7-3-2-4-8-18/h2-12,14H,13,15-17H2,1H3,(H,25,27)
InChIKeyURCZWKDBOCGCMU-UHFFFAOYSA-N
XLogP4.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 8924126
N-[4-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 26650432
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 8746165
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-phenylacetamide
CID 31380025
2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-cyclopentylbenzamide
CID 8748179
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide
CID 8745492
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 17400891
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8746746
N-(2-benzylphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110880689
3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide
CID 51303066
N-(4-acetylphenyl)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetamide
CID 8746036
N-(4-acetylphenyl)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetamide;oxalic acid
CID 17401843

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide?
The IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide (CID 8746784) is 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide.
What is the SMILES notation for 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide?
The canonical SMILES for 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide is CN(CC(=O)Nc1ccccc1Cc1ccccc1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide?
The InChIKey is URCZWKDBOCGCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-26(15-19-11-12-22-23(14-19)29-17-28-22)16-24(27)25-21-10-6-5-9-20(21)13-18-7-3-2-4-8-18/h2-12,14H,13,15-17H2,1H3,(H,25,27).
What are the key properties of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide?
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide has a molecular weight of 388.47 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide is sourced from PubChem (CID 8746784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).