N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-phenoxyacetamide

C16H16N2O3 — CID 24698020

IUPACN-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-phenoxyacetamide
SMILESC/C(=N\O)c1ccccc1NC(=O)COc1ccccc1
InChIInChI=1S/C16H16N2O3/c1-12(18-20)14-9-5-6-10-15(14)17-16(19)11-21-13-7-3-2-4-8-13/h2-10,20H,11H2,1H3,(H,17,19)/b18-12+
InChIKeyDHQDFRJCSFUEGT-LDADJPATSA-N
MW284.31 g/mol
LogP2.90
Rot. Bonds5

About N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-phenoxyacetamide

N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-phenoxyacetamide (PubChem CID 24698020) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-phenoxyacetamide
PubChem CID24698020
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-phenoxyacetamide
SMILESC/C(=N\O)c1ccccc1NC(=O)COc1ccccc1
InChIInChI=1S/C16H16N2O3/c1-12(18-20)14-9-5-6-10-15(14)17-16(19)11-21-13-7-3-2-4-8-13/h2-10,20H,11H2,1H3,(H,17,19)/b18-12+
InChIKeyDHQDFRJCSFUEGT-LDADJPATSA-N
XLogP2.90
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.90
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-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenoxypropanamide
CID 24693923
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methoxyacetamide
CID 24697766
N-[2-(hydrazinecarbonyl)phenyl]-2-phenoxyacetamide
CID 10613129
zinc bis(2-[(2-phenoxyacetyl)amino]benzoate)
CID 67733128
N-[2-(2-aminoacetyl)phenyl]-2-phenoxyacetamide
CID 170860834
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]acetamide
CID 71323651
N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 18089922
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
N-(3-ethoxypropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 17311898
2-phenoxy-N-(2-propan-2-ylphenyl)acetamide
CID 723304
2-(2-chlorophenyl)-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide
CID 43106968
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-phenoxyacetamide (CID 24698020) is N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-phenoxyacetamide is C/C(=N\O)c1ccccc1NC(=O)COc1ccccc1.
What is the InChIKey of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-phenoxyacetamide?
The InChIKey is DHQDFRJCSFUEGT-LDADJPATSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-12(18-20)14-9-5-6-10-15(14)17-16(19)11-21-13-7-3-2-4-8-13/h2-10,20H,11H2,1H3,(H,17,19)/b18-12+.
What are the key properties of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-phenoxyacetamide?
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-phenoxyacetamide has a molecular weight of 284.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 24698020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).