(2-acetamidophenyl)-hydroperoxyarsinic acid;N-(3,4-dimethoxyphenyl)-N-methylbenzamide

C24H27AsN2O8 — CID 174704193

IUPAC(2-acetamidophenyl)-hydroperoxyarsinic acid;N-(3,4-dimethoxyphenyl)-N-methylbenzamide
SMILESCC(=O)Nc1ccccc1[As](=O)(O)OO.COc1ccc(N(C)C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C16H17NO3.C8H10AsNO5/c1-17(16(18)12-7-5-4-6-8-12)13-9-10-14(19-2)15(11-13)20-3;1-6(11)10-8-5-3-2-4-7(8)9(12,13)15-14/h4-11H,1-3H3;2-5,14H,1H3,(H,10,11)(H,12,13)
InChIKeyKJPYAOFEZZURAT-UHFFFAOYSA-N
MW546.41 g/mol
LogP2.68
Rot. Bonds7

About (2-acetamidophenyl)-hydroperoxyarsinic acid;N-(3,4-dimethoxyphenyl)-N-methylbenzamide

(2-acetamidophenyl)-hydroperoxyarsinic acid;N-(3,4-dimethoxyphenyl)-N-methylbenzamide (PubChem CID 174704193) has the molecular formula C24H27AsN2O8 and a molecular weight of 546.41 g/mol. Its IUPAC name is (2-acetamidophenyl)-hydroperoxyarsinic acid;N-(3,4-dimethoxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name(2-acetamidophenyl)-hydroperoxyarsinic acid;N-(3,4-dimethoxyphenyl)-N-methylbenzamide
PubChem CID174704193
Molecular FormulaC24H27AsN2O8
Molecular Weight546.41 g/mol
Exact Mass546.10
IUPAC Name(2-acetamidophenyl)-hydroperoxyarsinic acid;N-(3,4-dimethoxyphenyl)-N-methylbenzamide
SMILESCC(=O)Nc1ccccc1[As](=O)(O)OO.COc1ccc(N(C)C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C16H17NO3.C8H10AsNO5/c1-17(16(18)12-7-5-4-6-8-12)13-9-10-14(19-2)15(11-13)20-3;1-6(11)10-8-5-3-2-4-7(8)9(12,13)15-14/h4-11H,1-3H3;2-5,14H,1H3,(H,10,11)(H,12,13)
InChIKeyKJPYAOFEZZURAT-UHFFFAOYSA-N
XLogP2.68
TPSA134.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.41
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze (2-acetamidophenyl)-hydroperoxyarsinic acid;N-(3,4-dimethoxyphenyl)-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-acetamidophenyl)-hydroperoxyarsinic acid;methyl 3-acetyloxybenzoate
CID 174434185
N-[2-(3,4-dimethoxy-N-methylanilino)-2-oxoethyl]benzamide
CID 110667730
(2-acetamidophenyl)-hydroperoxyarsinic acid;2-(2-phenylethyl)propanedioic acid
CID 174952648
2-N-(2-methoxyphenyl)-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109091430
(2-acetamidophenyl)-hydroperoxyarsinic acid;(3-chlorophenyl)boronic acid
CID 174686253
3-hydroxy-4-methoxy-N-methyl-N-phenylbenzamide
CID 79725609
N-(3,4-dimethoxyphenyl)-N-methyl-2-oxopropanamide
CID 86744650
1-N-(5-chloro-2-methoxyphenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057036
(2-acetamidophenyl)-hydroperoxyarsinic acid;5-hydroxy-2-phosphorosopentanoic acid
CID 174670621
N-[3-[benzoyl(methyl)amino]phenyl]-N-methylbenzamide
CID 59642334
(2-acetamidophenyl)-hydroperoxyarsinic acid;3-amino-4-hydroxybenzenesulfonic acid
CID 174417587
3-N-(2-methoxyphenyl)-5-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109108084

Frequently Asked Questions

What is the IUPAC name of (2-acetamidophenyl)-hydroperoxyarsinic acid;N-(3,4-dimethoxyphenyl)-N-methylbenzamide?
The IUPAC name of (2-acetamidophenyl)-hydroperoxyarsinic acid;N-(3,4-dimethoxyphenyl)-N-methylbenzamide (CID 174704193) is (2-acetamidophenyl)-hydroperoxyarsinic acid;N-(3,4-dimethoxyphenyl)-N-methylbenzamide.
What is the SMILES notation for (2-acetamidophenyl)-hydroperoxyarsinic acid;N-(3,4-dimethoxyphenyl)-N-methylbenzamide?
The canonical SMILES for (2-acetamidophenyl)-hydroperoxyarsinic acid;N-(3,4-dimethoxyphenyl)-N-methylbenzamide is CC(=O)Nc1ccccc1[As](=O)(O)OO.COc1ccc(N(C)C(=O)c2ccccc2)cc1OC.
What is the InChIKey of (2-acetamidophenyl)-hydroperoxyarsinic acid;N-(3,4-dimethoxyphenyl)-N-methylbenzamide?
The InChIKey is KJPYAOFEZZURAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3.C8H10AsNO5/c1-17(16(18)12-7-5-4-6-8-12)13-9-10-14(19-2)15(11-13)20-3;1-6(11)10-8-5-3-2-4-7(8)9(12,13)15-14/h4-11H,1-3H3;2-5,14H,1H3,(H,10,11)(H,12,13).
What are the key properties of (2-acetamidophenyl)-hydroperoxyarsinic acid;N-(3,4-dimethoxyphenyl)-N-methylbenzamide?
(2-acetamidophenyl)-hydroperoxyarsinic acid;N-(3,4-dimethoxyphenyl)-N-methylbenzamide has a molecular weight of 546.41 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamidophenyl)-hydroperoxyarsinic acid;N-(3,4-dimethoxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 174704193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).