2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide

C16H15NO3 — CID 40805167

IUPAC2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C16H15NO3/c1-11-3-2-4-13(7-11)17-16(18)9-12-5-6-14-15(8-12)20-10-19-14/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeySXGYIWWYEQQXRS-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.90
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide

2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide (PubChem CID 40805167) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide
PubChem CID40805167
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C16H15NO3/c1-11-3-2-4-13(7-11)17-16(18)9-12-5-6-14-15(8-12)20-10-19-14/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeySXGYIWWYEQQXRS-UHFFFAOYSA-N
XLogP2.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
1-N-(1,3-benzodioxol-5-ylmethyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976431
2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide
CID 24555317
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967401
2-[4-(aminomethyl)phenyl]-N-(3-methylphenyl)acetamide
CID 63590654
3-N-(1,3-benzodioxol-5-ylmethyl)-5-N-(3-methylphenyl)pyridine-3,5-dicarboxamide
CID 109105833
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylanilino)acetamide
CID 37467922
1-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150450
N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 55609804
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxyphenyl)acetamide
CID 108998752
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110606294
N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide
CID 43088004

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide (CID 40805167) is 2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is SXGYIWWYEQQXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-3-2-4-13(7-11)17-16(18)9-12-5-6-14-15(8-12)20-10-19-14/h2-8H,9-10H2,1H3,(H,17,18).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 269.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 40805167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).