N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenoxypropanamide

C17H18N2O3 — CID 24693923

IUPACN-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenoxypropanamide
SMILESC/C(=N\O)c1ccccc1NC(=O)CCOc1ccccc1
InChIInChI=1S/C17H18N2O3/c1-13(19-21)15-9-5-6-10-16(15)18-17(20)11-12-22-14-7-3-2-4-8-14/h2-10,21H,11-12H2,1H3,(H,18,20)/b19-13+
InChIKeyHTNJLTZVMFXSMP-CPNJWEJPSA-N
MW298.34 g/mol
LogP3.29
Rot. Bonds6

About N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenoxypropanamide

N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenoxypropanamide (PubChem CID 24693923) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenoxypropanamide
PubChem CID24693923
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenoxypropanamide
SMILESC/C(=N\O)c1ccccc1NC(=O)CCOc1ccccc1
InChIInChI=1S/C17H18N2O3/c1-13(19-21)15-9-5-6-10-16(15)18-17(20)11-12-22-14-7-3-2-4-8-14/h2-10,21H,11-12H2,1H3,(H,18,20)/b19-13+
InChIKeyHTNJLTZVMFXSMP-CPNJWEJPSA-N
XLogP3.29
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.29
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]-2-phenoxyacetamide
CID 24698020
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
N-cyclopropyl-2-(3-phenoxypropanoylamino)benzamide
CID 26906047
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methoxyacetamide
CID 24697766
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]acetamide
CID 71323651
N-(2-iodophenyl)-3-phenoxypropanamide
CID 26087738
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylbutanamide
CID 24702530
N-[2-(1-hydroxyethyl)phenyl]-3-phenoxypropanamide
CID 43508522
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
methyl 2-[3-(4-ethylphenoxy)propanoylamino]benzoate
CID 108795775
tert-butyl N-[3-oxo-3-[2-(3-phenoxypropanoylamino)anilino]propyl]carbamate
CID 108920262

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenoxypropanamide (CID 24693923) is N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenoxypropanamide is C/C(=N\O)c1ccccc1NC(=O)CCOc1ccccc1.
What is the InChIKey of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenoxypropanamide?
The InChIKey is HTNJLTZVMFXSMP-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-13(19-21)15-9-5-6-10-16(15)18-17(20)11-12-22-14-7-3-2-4-8-14/h2-10,21H,11-12H2,1H3,(H,18,20)/b19-13+.
What are the key properties of N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenoxypropanamide?
N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-phenoxypropanamide has a molecular weight of 298.34 g/mol, XLogP of 3.29, 6 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]-3-phenoxypropanamide is sourced from PubChem (CID 24693923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).