N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide

C17H18N2O2 — CID 76942761

IUPACN-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide
SMILESCC(=NO)c1cccc(NC(=O)Cc2cccc(C)c2)c1
InChIInChI=1S/C17H18N2O2/c1-12-5-3-6-14(9-12)10-17(20)18-16-8-4-7-15(11-16)13(2)19-21/h3-9,11,21H,10H2,1-2H3,(H,18,20)
InChIKeyQLJURSHCILEGEC-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.37
Rot. Bonds4

About N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide

N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide (PubChem CID 76942761) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide
PubChem CID76942761
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide
SMILESCC(=NO)c1cccc(NC(=O)Cc2cccc(C)c2)c1
InChIInChI=1S/C17H18N2O2/c1-12-5-3-6-14(9-12)10-17(20)18-16-8-4-7-15(11-16)13(2)19-21/h3-9,11,21H,10H2,1-2H3,(H,18,20)
InChIKeyQLJURSHCILEGEC-UHFFFAOYSA-N
XLogP3.37
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(3-methylphenyl)acetyl]amino]benzoic acid
CID 17127022
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 24702333
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide
CID 60732546
N-(3-chlorophenyl)-2-(3-methylphenyl)acetamide
CID 9497443
[2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822799
2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108922788
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
N-[3-(methylaminomethyl)phenyl]-2-(3-methylphenyl)acetamide
CID 62388896
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24691047
N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925215
1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea
CID 13119872

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide (CID 76942761) is N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide is CC(=NO)c1cccc(NC(=O)Cc2cccc(C)c2)c1.
What is the InChIKey of N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide?
The InChIKey is QLJURSHCILEGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-5-3-6-14(9-12)10-17(20)18-16-8-4-7-15(11-16)13(2)19-21/h3-9,11,21H,10H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide?
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide has a molecular weight of 282.34 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 76942761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).