acetic acid;N-phenoxyacetamide;O-phenylhydroxylamine

C16H20N2O5 — CID 160787264

IUPACacetic acid;N-phenoxyacetamide;O-phenylhydroxylamine
SMILESCC(=O)NOc1ccccc1.CC(=O)O.NOc1ccccc1
InChIInChI=1S/C8H9NO2.C6H7NO.C2H4O2/c1-7(10)9-11-8-5-3-2-4-6-8;7-8-6-4-2-1-3-5-6;1-2(3)4/h2-6H,1H3,(H,9,10);1-5H,7H2;1H3,(H,3,4)
InChIKeyGERRTOSRDNGXPF-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.15
Rot. Bonds3

About acetic acid;N-phenoxyacetamide;O-phenylhydroxylamine

acetic acid;N-phenoxyacetamide;O-phenylhydroxylamine (PubChem CID 160787264) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is acetic acid;N-phenoxyacetamide;O-phenylhydroxylamine.

Molecular Properties

Compound Nameacetic acid;N-phenoxyacetamide;O-phenylhydroxylamine
PubChem CID160787264
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Nameacetic acid;N-phenoxyacetamide;O-phenylhydroxylamine
SMILESCC(=O)NOc1ccccc1.CC(=O)O.NOc1ccccc1
InChIInChI=1S/C8H9NO2.C6H7NO.C2H4O2/c1-7(10)9-11-8-5-3-2-4-6-8;7-8-6-4-2-1-3-5-6;1-2(3)4/h2-6H,1H3,(H,9,10);1-5H,7H2;1H3,(H,3,4)
InChIKeyGERRTOSRDNGXPF-UHFFFAOYSA-N
XLogP2.15
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phenol;N-phenoxyacetamide
CID 174815044
N,N-dimethylmethanamine;O-phenylhydroxylamine
CID 174658047
N-(3-methylphenoxy)acetamide
CID 102440503
O-phenylhydroxylamine;zinc
CID 175464016
O-phenylhydroxylamine;zirconium
CID 174144426
2,2-dimethyl-N-phenoxypropanamide
CID 20584483
N-(4-cyanophenoxy)acetamide
CID 174609340
2,2,2-trifluoro-N-phenoxyacetamide
CID 86124440
ethyl N-phenoxycarbamate;2-methylprop-2-enoic acid
CID 87626969
phenyl 2-(hydroxyamino)propanoate
CID 88707618
phenoxybenzene;N-phenylacetamide
CID 174350344
(phenoxyamino)urea
CID 67928510

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-phenoxyacetamide;O-phenylhydroxylamine?
The IUPAC name of acetic acid;N-phenoxyacetamide;O-phenylhydroxylamine (CID 160787264) is acetic acid;N-phenoxyacetamide;O-phenylhydroxylamine.
What is the SMILES notation for acetic acid;N-phenoxyacetamide;O-phenylhydroxylamine?
The canonical SMILES for acetic acid;N-phenoxyacetamide;O-phenylhydroxylamine is CC(=O)NOc1ccccc1.CC(=O)O.NOc1ccccc1.
What is the InChIKey of acetic acid;N-phenoxyacetamide;O-phenylhydroxylamine?
The InChIKey is GERRTOSRDNGXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C6H7NO.C2H4O2/c1-7(10)9-11-8-5-3-2-4-6-8;7-8-6-4-2-1-3-5-6;1-2(3)4/h2-6H,1H3,(H,9,10);1-5H,7H2;1H3,(H,3,4).
What are the key properties of acetic acid;N-phenoxyacetamide;O-phenylhydroxylamine?
acetic acid;N-phenoxyacetamide;O-phenylhydroxylamine has a molecular weight of 320.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-phenoxyacetamide;O-phenylhydroxylamine is sourced from PubChem (CID 160787264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).