N-[3-(methoxyamino)phenyl]acetamide;toluene

C16H20N2O2 — CID 163614095

IUPACN-[3-(methoxyamino)phenyl]acetamide;toluene
SMILESCONc1cccc(NC(C)=O)c1.Cc1ccccc1
InChIInChI=1S/C9H12N2O2.C7H8/c1-7(12)10-8-4-3-5-9(6-8)11-13-2;1-7-5-3-2-4-6-7/h3-6,11H,1-2H3,(H,10,12);2-6H,1H3
InChIKeyHIMOISIBLWKFHY-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.61
Rot. Bonds3

About N-[3-(methoxyamino)phenyl]acetamide;toluene

N-[3-(methoxyamino)phenyl]acetamide;toluene (PubChem CID 163614095) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[3-(methoxyamino)phenyl]acetamide;toluene.

Molecular Properties

Compound NameN-[3-(methoxyamino)phenyl]acetamide;toluene
PubChem CID163614095
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[3-(methoxyamino)phenyl]acetamide;toluene
SMILESCONc1cccc(NC(C)=O)c1.Cc1ccccc1
InChIInChI=1S/C9H12N2O2.C7H8/c1-7(12)10-8-4-3-5-9(6-8)11-13-2;1-7-5-3-2-4-6-7/h3-6,11H,1-2H3,(H,10,12);2-6H,1H3
InChIKeyHIMOISIBLWKFHY-UHFFFAOYSA-N
XLogP3.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methoxyamino)phenyl]propanamide;toluene
CID 163567770
N-phenylacetamide;toluene
CID 175205531
N-(3-methylphenyl)acetamide
CID 10843
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
acetic acid;N-methoxyaniline
CID 174899473
N-[3-[(4-methylphenyl)carbamothioylamino]phenyl]acetamide
CID 19678459
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
N-(3-acetamidophenyl)-3-methoxybut-2-enamide
CID 54455732
(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 7741781
cobalt;N-phenylacetamide
CID 158689050
methyl (Z)-3-(3-methylanilino)but-2-enoate
CID 129322620
acetic acid;N-[3-(propan-2-ylamino)phenyl]acetamide
CID 174839462

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxyamino)phenyl]acetamide;toluene?
The IUPAC name of N-[3-(methoxyamino)phenyl]acetamide;toluene (CID 163614095) is N-[3-(methoxyamino)phenyl]acetamide;toluene.
What is the SMILES notation for N-[3-(methoxyamino)phenyl]acetamide;toluene?
The canonical SMILES for N-[3-(methoxyamino)phenyl]acetamide;toluene is CONc1cccc(NC(C)=O)c1.Cc1ccccc1.
What is the InChIKey of N-[3-(methoxyamino)phenyl]acetamide;toluene?
The InChIKey is HIMOISIBLWKFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2.C7H8/c1-7(12)10-8-4-3-5-9(6-8)11-13-2;1-7-5-3-2-4-6-7/h3-6,11H,1-2H3,(H,10,12);2-6H,1H3.
What are the key properties of N-[3-(methoxyamino)phenyl]acetamide;toluene?
N-[3-(methoxyamino)phenyl]acetamide;toluene has a molecular weight of 272.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methoxyamino)phenyl]acetamide;toluene is sourced from PubChem (CID 163614095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).