N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-benzylphenoxy)acetamide

C24H21NO5 — CID 7924582

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-benzylphenoxy)acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)COc1ccccc1Cc1ccccc1)OCO2
InChIInChI=1S/C24H21NO5/c1-16(26)19-12-22-23(30-15-29-22)13-20(19)25-24(27)14-28-21-10-6-5-9-18(21)11-17-7-3-2-4-8-17/h2-10,12-13H,11,14-15H2,1H3,(H,25,27)
InChIKeyKOQUCRNBAWACBH-UHFFFAOYSA-N
MW403.43 g/mol
LogP4.23
Rot. Bonds7

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-benzylphenoxy)acetamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-benzylphenoxy)acetamide (PubChem CID 7924582) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-benzylphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-benzylphenoxy)acetamide
PubChem CID7924582
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-benzylphenoxy)acetamide
SMILESCC(=O)c1cc2c(cc1NC(=O)COc1ccccc1Cc1ccccc1)OCO2
InChIInChI=1S/C24H21NO5/c1-16(26)19-12-22-23(30-15-29-22)13-20(19)25-24(27)14-28-21-10-6-5-9-18(21)11-17-7-3-2-4-8-17/h2-10,12-13H,11,14-15H2,1H3,(H,25,27)
InChIKeyKOQUCRNBAWACBH-UHFFFAOYSA-N
XLogP4.23
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-tert-butylphenoxy)acetamide
CID 32996399
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,5-dimethylphenoxy)acetamide
CID 18170352
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-bromo-4-fluorophenoxy)acetamide
CID 29242319
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18170344
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-benzylsulfanylacetamide
CID 7784900
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834337
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methoxyanilino)acetamide
CID 9345383
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 4-phenylbenzoate
CID 40695914
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3-tert-butylphenoxy)acetamide
CID 42989727
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylacetamide
CID 31483361
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
7-[[2-(2-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid
CID 9267028

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-benzylphenoxy)acetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-benzylphenoxy)acetamide (CID 7924582) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-benzylphenoxy)acetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-benzylphenoxy)acetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-benzylphenoxy)acetamide is CC(=O)c1cc2c(cc1NC(=O)COc1ccccc1Cc1ccccc1)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-benzylphenoxy)acetamide?
The InChIKey is KOQUCRNBAWACBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5/c1-16(26)19-12-22-23(30-15-29-22)13-20(19)25-24(27)14-28-21-10-6-5-9-18(21)11-17-7-3-2-4-8-17/h2-10,12-13H,11,14-15H2,1H3,(H,25,27).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-benzylphenoxy)acetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-benzylphenoxy)acetamide has a molecular weight of 403.43 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-benzylphenoxy)acetamide is sourced from PubChem (CID 7924582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).