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

C18H18N2O5 — CID 9345383

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)Nc1cc2c(cc1C(C)=O)OCO2
InChIInChI=1S/C18H18N2O5/c1-11(21)12-7-16-17(25-10-24-16)8-14(12)20-18(22)9-19-13-5-3-4-6-15(13)23-2/h3-8,19H,9-10H2,1-2H3,(H,20,22)
InChIKeyJIWJBXDXTGHNFU-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.68
Rot. Bonds6

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

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methoxyanilino)acetamide (PubChem CID 9345383) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methoxyanilino)acetamide
PubChem CID9345383
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)Nc1cc2c(cc1C(C)=O)OCO2
InChIInChI=1S/C18H18N2O5/c1-11(21)12-7-16-17(25-10-24-16)8-14(12)20-18(22)9-19-13-5-3-4-6-15(13)23-2/h3-8,19H,9-10H2,1-2H3,(H,20,22)
InChIKeyJIWJBXDXTGHNFU-UHFFFAOYSA-N
XLogP2.68
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 56502722
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 146380030
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-(2-tert-butylphenoxy)acetamide
CID 32996399
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132723
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-benzylphenoxy)acetamide
CID 7924582
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-naphthalen-2-ylacetamide
CID 31483361
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 55521371
2-[[2-(2-methoxyanilino)acetyl]amino]benzoic acid
CID 18929239
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8760495
N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 1272919
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-phenylbutanamide
CID 46797259

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methoxyanilino)acetamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methoxyanilino)acetamide (CID 9345383) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methoxyanilino)acetamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methoxyanilino)acetamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methoxyanilino)acetamide is COc1ccccc1NCC(=O)Nc1cc2c(cc1C(C)=O)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methoxyanilino)acetamide?
The InChIKey is JIWJBXDXTGHNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-11(21)12-7-16-17(25-10-24-16)8-14(12)20-18(22)9-19-13-5-3-4-6-15(13)23-2/h3-8,19H,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methoxyanilino)acetamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methoxyanilino)acetamide has a molecular weight of 342.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methoxyanilino)acetamide is sourced from PubChem (CID 9345383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).