2-hydroxyimino-3-phenyl-N-(1-phenylethyl)propanamide

C17H18N2O2 — CID 6835511

IUPAC2-hydroxyimino-3-phenyl-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(Cc1ccccc1)=NO)c1ccccc1
InChIInChI=1S/C17H18N2O2/c1-13(15-10-6-3-7-11-15)18-17(20)16(19-21)12-14-8-4-2-5-9-14/h2-11,13,21H,12H2,1H3,(H,18,20)
InChIKeyUIUFNYVIYSLSEL-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.94
Rot. Bonds5

About 2-hydroxyimino-3-phenyl-N-(1-phenylethyl)propanamide

2-hydroxyimino-3-phenyl-N-(1-phenylethyl)propanamide (PubChem CID 6835511) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-hydroxyimino-3-phenyl-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-hydroxyimino-3-phenyl-N-(1-phenylethyl)propanamide
PubChem CID6835511
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-hydroxyimino-3-phenyl-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(Cc1ccccc1)=NO)c1ccccc1
InChIInChI=1S/C17H18N2O2/c1-13(15-10-6-3-7-11-15)18-17(20)16(19-21)12-14-8-4-2-5-9-14/h2-11,13,21H,12H2,1H3,(H,18,20)
InChIKeyUIUFNYVIYSLSEL-UHFFFAOYSA-N
XLogP2.94
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.94
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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-3-phenyl-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-hydroxyimino-3-phenyl-N-(1-phenylethyl)propanamide (CID 6835511) is 2-hydroxyimino-3-phenyl-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-hydroxyimino-3-phenyl-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-hydroxyimino-3-phenyl-N-(1-phenylethyl)propanamide is CC(NC(=O)C(Cc1ccccc1)=NO)c1ccccc1.
What is the InChIKey of 2-hydroxyimino-3-phenyl-N-(1-phenylethyl)propanamide?
The InChIKey is UIUFNYVIYSLSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13(15-10-6-3-7-11-15)18-17(20)16(19-21)12-14-8-4-2-5-9-14/h2-11,13,21H,12H2,1H3,(H,18,20).
What are the key properties of 2-hydroxyimino-3-phenyl-N-(1-phenylethyl)propanamide?
2-hydroxyimino-3-phenyl-N-(1-phenylethyl)propanamide has a molecular weight of 282.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-3-phenyl-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 6835511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).