N-[2-[hexadecoxy(hydroperoxy)arsoryl]phenyl]acetamide

C24H42AsNO5 — CID 174914776

IUPACN-[2-[hexadecoxy(hydroperoxy)arsoryl]phenyl]acetamide
SMILESCCCCCCCCCCCCCCCCO[As](=O)(OO)c1ccccc1NC(C)=O
InChIInChI=1S/C24H42AsNO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-25(28,31-29)23-19-16-17-20-24(23)26-22(2)27/h16-17,19-20,29H,3-15,18,21H2,1-2H3,(H,26,27)
InChIKeyXSWKKUVFCWZPGS-UHFFFAOYSA-N
MW499.52 g/mol
LogP6.21
Rot. Bonds19

About N-[2-[hexadecoxy(hydroperoxy)arsoryl]phenyl]acetamide

N-[2-[hexadecoxy(hydroperoxy)arsoryl]phenyl]acetamide (PubChem CID 174914776) has the molecular formula C24H42AsNO5 and a molecular weight of 499.52 g/mol. Its IUPAC name is N-[2-[hexadecoxy(hydroperoxy)arsoryl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[hexadecoxy(hydroperoxy)arsoryl]phenyl]acetamide
PubChem CID174914776
Molecular FormulaC24H42AsNO5
Molecular Weight499.52 g/mol
Exact Mass499.23
IUPAC NameN-[2-[hexadecoxy(hydroperoxy)arsoryl]phenyl]acetamide
SMILESCCCCCCCCCCCCCCCCO[As](=O)(OO)c1ccccc1NC(C)=O
InChIInChI=1S/C24H42AsNO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-25(28,31-29)23-19-16-17-20-24(23)26-22(2)27/h16-17,19-20,29H,3-15,18,21H2,1-2H3,(H,26,27)
InChIKeyXSWKKUVFCWZPGS-UHFFFAOYSA-N
XLogP6.21
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.52
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-acetamidophenyl)-hydroperoxyarsinic acid;3-methoxypropanoic acid
CID 174902102
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719
N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
(2-acetamidophenyl)-hydroperoxyarsinic acid;2-(2-phenylethyl)propanedioic acid
CID 174952648
N-(2,5-diheptoxy-4-iodophenyl)acetamide
CID 139913826
N-(2-oct-1-ynylphenyl)acetamide
CID 11658791
(2-acetamidophenyl)-hydroperoxyarsinic acid;5-hydroxy-2-phosphorosopentanoic acid
CID 174670621
1-(2-methylphenyl)-3-octoxyurea
CID 18807522
decyl 2-(2-ethylanilino)-2-oxoacetate
CID 6423339
heptyl 2-(2-chloroanilino)-2-oxoacetate
CID 6420862
octadecyl 2-(2-fluoroanilino)-2-oxoacetate
CID 6422180
CID 172705473
CID 172705473

Frequently Asked Questions

What is the IUPAC name of N-[2-[hexadecoxy(hydroperoxy)arsoryl]phenyl]acetamide?
The IUPAC name of N-[2-[hexadecoxy(hydroperoxy)arsoryl]phenyl]acetamide (CID 174914776) is N-[2-[hexadecoxy(hydroperoxy)arsoryl]phenyl]acetamide.
What is the SMILES notation for N-[2-[hexadecoxy(hydroperoxy)arsoryl]phenyl]acetamide?
The canonical SMILES for N-[2-[hexadecoxy(hydroperoxy)arsoryl]phenyl]acetamide is CCCCCCCCCCCCCCCCO[As](=O)(OO)c1ccccc1NC(C)=O.
What is the InChIKey of N-[2-[hexadecoxy(hydroperoxy)arsoryl]phenyl]acetamide?
The InChIKey is XSWKKUVFCWZPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42AsNO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-30-25(28,31-29)23-19-16-17-20-24(23)26-22(2)27/h16-17,19-20,29H,3-15,18,21H2,1-2H3,(H,26,27).
What are the key properties of N-[2-[hexadecoxy(hydroperoxy)arsoryl]phenyl]acetamide?
N-[2-[hexadecoxy(hydroperoxy)arsoryl]phenyl]acetamide has a molecular weight of 499.52 g/mol, XLogP of 6.21, 19 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[hexadecoxy(hydroperoxy)arsoryl]phenyl]acetamide is sourced from PubChem (CID 174914776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).