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

C18H18N2O5 — CID 113173267

IUPAC2-(N-acetyl-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCO2)C(C)=O
InChIInChI=1S/C18H18N2O5/c1-12(21)20(14-5-3-4-6-15(14)23-2)10-18(22)19-13-7-8-16-17(9-13)25-11-24-16/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyYRUBNUYGMYMVKW-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.42
Rot. Bonds5

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

2-(N-acetyl-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 113173267) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-(N-acetyl-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID113173267
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name2-(N-acetyl-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCO2)C(C)=O
InChIInChI=1S/C18H18N2O5/c1-12(21)20(14-5-3-4-6-15(14)23-2)10-18(22)19-13-7-8-16-17(9-13)25-11-24-16/h3-9H,10-11H2,1-2H3,(H,19,22)
InChIKeyYRUBNUYGMYMVKW-UHFFFAOYSA-N
XLogP2.42
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113174167
2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113170871
2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 39087396
2-(N-acetyl-2-ethoxyanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113173805
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)propanamide
CID 113128561
2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113173242
2-(N-acetyl-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113167396
2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113169371
N-(1,3-benzodioxol-5-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022229
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541655
N-(1,3-benzodioxol-5-yl)-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978494
2-(N-acetyl-2-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113180763

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-(N-acetyl-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)acetamide (CID 113173267) is 2-(N-acetyl-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)acetamide is COc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCO2)C(C)=O.
What is the InChIKey of 2-(N-acetyl-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is YRUBNUYGMYMVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-12(21)20(14-5-3-4-6-15(14)23-2)10-18(22)19-13-7-8-16-17(9-13)25-11-24-16/h3-9H,10-11H2,1-2H3,(H,19,22).
What are the key properties of 2-(N-acetyl-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)acetamide?
2-(N-acetyl-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 342.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 113173267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).