N'-[(E)-1-(2-hydroxyphenyl)propylideneamino]oxamide

C11H13N3O3 — CID 135521546

IUPACN'-[(E)-1-(2-hydroxyphenyl)propylideneamino]oxamide
SMILESCC/C(=N\NC(=O)C(N)=O)c1ccccc1O
InChIInChI=1S/C11H13N3O3/c1-2-8(13-14-11(17)10(12)16)7-5-3-4-6-9(7)15/h3-6,15H,2H2,1H3,(H2,12,16)(H,14,17)/b13-8+
InChIKeyLTZZMFGRNABJKH-MDWZMJQESA-N
MW235.24 g/mol
LogP0.11
Rot. Bonds3

About N'-[(E)-1-(2-hydroxyphenyl)propylideneamino]oxamide

N'-[(E)-1-(2-hydroxyphenyl)propylideneamino]oxamide (PubChem CID 135521546) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is N'-[(E)-1-(2-hydroxyphenyl)propylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(E)-1-(2-hydroxyphenyl)propylideneamino]oxamide
PubChem CID135521546
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC NameN'-[(E)-1-(2-hydroxyphenyl)propylideneamino]oxamide
SMILESCC/C(=N\NC(=O)C(N)=O)c1ccccc1O
InChIInChI=1S/C11H13N3O3/c1-2-8(13-14-11(17)10(12)16)7-5-3-4-6-9(7)15/h3-6,15H,2H2,1H3,(H2,12,16)(H,14,17)/b13-8+
InChIKeyLTZZMFGRNABJKH-MDWZMJQESA-N
XLogP0.11
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_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 N'-[(E)-1-(2-hydroxyphenyl)propylideneamino]oxamide?
The IUPAC name of N'-[(E)-1-(2-hydroxyphenyl)propylideneamino]oxamide (CID 135521546) is N'-[(E)-1-(2-hydroxyphenyl)propylideneamino]oxamide.
What is the SMILES notation for N'-[(E)-1-(2-hydroxyphenyl)propylideneamino]oxamide?
The canonical SMILES for N'-[(E)-1-(2-hydroxyphenyl)propylideneamino]oxamide is CC/C(=N\NC(=O)C(N)=O)c1ccccc1O.
What is the InChIKey of N'-[(E)-1-(2-hydroxyphenyl)propylideneamino]oxamide?
The InChIKey is LTZZMFGRNABJKH-MDWZMJQESA-N. The full InChI is InChI=1S/C11H13N3O3/c1-2-8(13-14-11(17)10(12)16)7-5-3-4-6-9(7)15/h3-6,15H,2H2,1H3,(H2,12,16)(H,14,17)/b13-8+.
What are the key properties of N'-[(E)-1-(2-hydroxyphenyl)propylideneamino]oxamide?
N'-[(E)-1-(2-hydroxyphenyl)propylideneamino]oxamide has a molecular weight of 235.24 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1-(2-hydroxyphenyl)propylideneamino]oxamide is sourced from PubChem (CID 135521546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).