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

C16H18AsNO5 — CID 175323372

IUPACN-[2-[hydroperoxy(2-phenylethoxy)arsoryl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1[As](=O)(OO)OCCc1ccccc1
InChIInChI=1S/C16H18AsNO5/c1-13(19)18-16-10-6-5-9-15(16)17(20,23-21)22-12-11-14-7-3-2-4-8-14/h2-10,21H,11-12H2,1H3,(H,18,19)
InChIKeyCZLZUNMVYOULJE-UHFFFAOYSA-N
MW379.24 g/mol
LogP1.97
Rot. Bonds7

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

N-[2-[hydroperoxy(2-phenylethoxy)arsoryl]phenyl]acetamide (PubChem CID 175323372) has the molecular formula C16H18AsNO5 and a molecular weight of 379.24 g/mol. Its IUPAC name is N-[2-[hydroperoxy(2-phenylethoxy)arsoryl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[hydroperoxy(2-phenylethoxy)arsoryl]phenyl]acetamide
PubChem CID175323372
Molecular FormulaC16H18AsNO5
Molecular Weight379.24 g/mol
Exact Mass379.04
IUPAC NameN-[2-[hydroperoxy(2-phenylethoxy)arsoryl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1[As](=O)(OO)OCCc1ccccc1
InChIInChI=1S/C16H18AsNO5/c1-13(19)18-16-10-6-5-9-15(16)17(20,23-21)22-12-11-14-7-3-2-4-8-14/h2-10,21H,11-12H2,1H3,(H,18,19)
InChIKeyCZLZUNMVYOULJE-UHFFFAOYSA-N
XLogP1.97
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

N-[2-[hexadecoxy(hydroperoxy)arsoryl]phenyl]acetamide
CID 174914776
(2-acetamidophenyl)-hydroperoxyarsinic acid;2-(2-phenylethyl)propanedioic acid
CID 174952648
(2-acetamidophenyl)-hydroperoxyarsinic acid;3-methoxypropanoic acid
CID 174902102
2-phenylethyl 2-acetamidobenzoate
CID 150228635
2-phenylethyl acetate
CID 7654
(2-acetamidophenyl)-hydroperoxyarsinic acid;5-hydroxy-2-phosphorosopentanoic acid
CID 174670621
acetic acid;2-phenylethyl acetate
CID 174791962
(3-acetamido-2-hydroxyphenyl)arsonic acid
CID 154325288
(2-acetamidophenyl)-hydroperoxyarsinic acid;(4-nitrophenyl)-phenylmethanone
CID 174916439
(3-acetamido-4-hydroxyphenyl)-(2-hydroxy-4-phenylbutanoyl)oxyarsinic acid
CID 174605336
(4-acetamidophenyl)-hydroperoxyarsinic acid;2-phenylacetic acid
CID 174468016
2-(2-acetamidophenyl)-2-oxo-N-(2-phenylethyl)acetamide
CID 3566210

Frequently Asked Questions

What is the IUPAC name of N-[2-[hydroperoxy(2-phenylethoxy)arsoryl]phenyl]acetamide?
The IUPAC name of N-[2-[hydroperoxy(2-phenylethoxy)arsoryl]phenyl]acetamide (CID 175323372) is N-[2-[hydroperoxy(2-phenylethoxy)arsoryl]phenyl]acetamide.
What is the SMILES notation for N-[2-[hydroperoxy(2-phenylethoxy)arsoryl]phenyl]acetamide?
The canonical SMILES for N-[2-[hydroperoxy(2-phenylethoxy)arsoryl]phenyl]acetamide is CC(=O)Nc1ccccc1[As](=O)(OO)OCCc1ccccc1.
What is the InChIKey of N-[2-[hydroperoxy(2-phenylethoxy)arsoryl]phenyl]acetamide?
The InChIKey is CZLZUNMVYOULJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18AsNO5/c1-13(19)18-16-10-6-5-9-15(16)17(20,23-21)22-12-11-14-7-3-2-4-8-14/h2-10,21H,11-12H2,1H3,(H,18,19).
What are the key properties of N-[2-[hydroperoxy(2-phenylethoxy)arsoryl]phenyl]acetamide?
N-[2-[hydroperoxy(2-phenylethoxy)arsoryl]phenyl]acetamide has a molecular weight of 379.24 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[hydroperoxy(2-phenylethoxy)arsoryl]phenyl]acetamide is sourced from PubChem (CID 175323372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).