N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide

C17H18N2O3 — CID 24702333

IUPACN-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(/C(C)=N/O)c2)cc1
InChIInChI=1S/C17H18N2O3/c1-12(19-21)14-4-3-5-15(11-14)18-17(20)10-13-6-8-16(22-2)9-7-13/h3-9,11,21H,10H2,1-2H3,(H,18,20)/b19-12+
InChIKeyVGGVSNUHJFQDIR-XDHOZWIPSA-N
MW298.34 g/mol
LogP3.07
Rot. Bonds5

About N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide

N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 24702333) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide
PubChem CID24702333
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(/C(C)=N/O)c2)cc1
InChIInChI=1S/C17H18N2O3/c1-12(19-21)14-4-3-5-15(11-14)18-17(20)10-13-6-8-16(22-2)9-7-13/h3-9,11,21H,10H2,1-2H3,(H,18,20)/b19-12+
InChIKeyVGGVSNUHJFQDIR-XDHOZWIPSA-N
XLogP3.07
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-methoxyacetamide
CID 60732546
N-ethyl-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide
CID 17230663
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2-(3-methylphenyl)acetamide
CID 76942761
3-[[2-(4-methoxyphenyl)acetyl]amino]-N-propylbenzamide
CID 17222629
2,2,2-trifluoro-N-[3-[(E)-N-[[2-(4-methoxyphenyl)acetyl]amino]-C-methylcarbonimidoyl]phenyl]acetamide
CID 40532050
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17296413
2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 5077969
N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide
CID 106912590
2-(4-methoxyphenyl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154686
3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877752
2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]benzoyl]amino]benzoic acid
CID 1321809
methyl 3-[[2-(4-ethoxyphenyl)acetyl]amino]benzoate
CID 17414832

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide (CID 24702333) is N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cccc(/C(C)=N/O)c2)cc1.
What is the InChIKey of N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is VGGVSNUHJFQDIR-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12(19-21)14-4-3-5-15(11-14)18-17(20)10-13-6-8-16(22-2)9-7-13/h3-9,11,21H,10H2,1-2H3,(H,18,20)/b19-12+.
What are the key properties of N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide?
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 298.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 24702333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).