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

C19H20N2O5 — CID 113174167

IUPAC2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccc2c(c1)OCO2)C(C)=O
InChIInChI=1S/C19H20N2O5/c1-12-4-6-16(24-3)15(8-12)21(13(2)22)10-19(23)20-14-5-7-17-18(9-14)26-11-25-17/h4-9H,10-11H2,1-3H3,(H,20,23)
InChIKeyVEUSWORJOOSXJO-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.72
Rot. Bonds5

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

2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 113174167) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID113174167
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)Nc1ccc2c(c1)OCO2)C(C)=O
InChIInChI=1S/C19H20N2O5/c1-12-4-6-16(24-3)15(8-12)21(13(2)22)10-19(23)20-14-5-7-17-18(9-14)26-11-25-17/h4-9H,10-11H2,1-3H3,(H,20,23)
InChIKeyVEUSWORJOOSXJO-UHFFFAOYSA-N
XLogP2.72
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-acetyl-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113173267
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 113174118
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)propanamide
CID 113128561
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 113174146
2-(N-acetyl-2-fluoroanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113170871
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,6-dichlorophenyl)acetamide
CID 113174178
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2594208
2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 39087396
2-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113181908
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113174112
2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113169371
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 1095807

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,3-benzodioxol-5-yl)acetamide (CID 113174167) is 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,3-benzodioxol-5-yl)acetamide is COc1ccc(C)cc1N(CC(=O)Nc1ccc2c(c1)OCO2)C(C)=O.
What is the InChIKey of 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is VEUSWORJOOSXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-12-4-6-16(24-3)15(8-12)21(13(2)22)10-19(23)20-14-5-7-17-18(9-14)26-11-25-17/h4-9H,10-11H2,1-3H3,(H,20,23).
What are the key properties of 2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,3-benzodioxol-5-yl)acetamide?
2-(N-acetyl-2-methoxy-5-methylanilino)-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 356.38 g/mol, XLogP of 2.72, 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-methoxy-5-methylanilino)-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 113174167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).