1-[4-(hydroxyamino)phenyl]ethanone;methane;methyl N-(4-acetylphenyl)-N-hydroxycarbamate

C19H24N2O6 — CID 158646548

IUPAC1-[4-(hydroxyamino)phenyl]ethanone;methane;methyl N-(4-acetylphenyl)-N-hydroxycarbamate
SMILESC.CC(=O)c1ccc(NO)cc1.COC(=O)N(O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C10H11NO4.C8H9NO2.CH4/c1-7(12)8-3-5-9(6-4-8)11(14)10(13)15-2;1-6(10)7-2-4-8(9-11)5-3-7;/h3-6,14H,1-2H3;2-5,9,11H,1H3;1H4
InChIKeyIBASDCZJOSZTFP-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.18
Rot. Bonds4

About 1-[4-(hydroxyamino)phenyl]ethanone;methane;methyl N-(4-acetylphenyl)-N-hydroxycarbamate

1-[4-(hydroxyamino)phenyl]ethanone;methane;methyl N-(4-acetylphenyl)-N-hydroxycarbamate (PubChem CID 158646548) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-[4-(hydroxyamino)phenyl]ethanone;methane;methyl N-(4-acetylphenyl)-N-hydroxycarbamate.

Molecular Properties

Compound Name1-[4-(hydroxyamino)phenyl]ethanone;methane;methyl N-(4-acetylphenyl)-N-hydroxycarbamate
PubChem CID158646548
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name1-[4-(hydroxyamino)phenyl]ethanone;methane;methyl N-(4-acetylphenyl)-N-hydroxycarbamate
SMILESC.CC(=O)c1ccc(NO)cc1.COC(=O)N(O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C10H11NO4.C8H9NO2.CH4/c1-7(12)8-3-5-9(6-4-8)11(14)10(13)15-2;1-6(10)7-2-4-8(9-11)5-3-7;/h3-6,14H,1-2H3;2-5,9,11H,1H3;1H4
InChIKeyIBASDCZJOSZTFP-UHFFFAOYSA-N
XLogP4.18
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[4-(hydroxyamino)phenyl]ethanone;methane;methyl N-(4-acetylphenyl)-N-hydroxycarbamate 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

methyl N-(4-acetylphenyl)-N-methylcarbamate
CID 132820157
N-hydroxy-N-(4-iodophenyl)acetamide;N-(4-iodophenyl)hydroxylamine;methane
CID 160519414
N-(4-fluorophenyl)-N-hydroxyacetamide;N-(4-fluorophenyl)hydroxylamine
CID 161155407
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-[4-(dimethylamino)anilino]phenyl]ethanone
CID 82536662
1-[4-(sulfanylamino)phenyl]ethanone
CID 143142211
1-[4-(chloroamino)phenyl]ethanone
CID 140987111
N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108514837
1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone
CID 115576830
methyl N-(6-fluoro-3-pyridinyl)-N-hydroxycarbamate
CID 121278895
methyl N-(4-acetylphenyl)carbamate;propane
CID 177246404
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxyamino)phenyl]ethanone;methane;methyl N-(4-acetylphenyl)-N-hydroxycarbamate?
The IUPAC name of 1-[4-(hydroxyamino)phenyl]ethanone;methane;methyl N-(4-acetylphenyl)-N-hydroxycarbamate (CID 158646548) is 1-[4-(hydroxyamino)phenyl]ethanone;methane;methyl N-(4-acetylphenyl)-N-hydroxycarbamate.
What is the SMILES notation for 1-[4-(hydroxyamino)phenyl]ethanone;methane;methyl N-(4-acetylphenyl)-N-hydroxycarbamate?
The canonical SMILES for 1-[4-(hydroxyamino)phenyl]ethanone;methane;methyl N-(4-acetylphenyl)-N-hydroxycarbamate is C.CC(=O)c1ccc(NO)cc1.COC(=O)N(O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 1-[4-(hydroxyamino)phenyl]ethanone;methane;methyl N-(4-acetylphenyl)-N-hydroxycarbamate?
The InChIKey is IBASDCZJOSZTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4.C8H9NO2.CH4/c1-7(12)8-3-5-9(6-4-8)11(14)10(13)15-2;1-6(10)7-2-4-8(9-11)5-3-7;/h3-6,14H,1-2H3;2-5,9,11H,1H3;1H4.
What are the key properties of 1-[4-(hydroxyamino)phenyl]ethanone;methane;methyl N-(4-acetylphenyl)-N-hydroxycarbamate?
1-[4-(hydroxyamino)phenyl]ethanone;methane;methyl N-(4-acetylphenyl)-N-hydroxycarbamate has a molecular weight of 376.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxyamino)phenyl]ethanone;methane;methyl N-(4-acetylphenyl)-N-hydroxycarbamate is sourced from PubChem (CID 158646548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).