N-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide

C16H14N4O4 — CID 135685457

IUPACN-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C16H14N4O4/c17-14(22)10-5-7-12(8-6-10)19-15(23)16(24)20-18-9-11-3-1-2-4-13(11)21/h1-9,21H,(H2,17,22)(H,19,23)(H,20,24)/b18-9+
InChIKeyLDXXZOKYYKNLHX-GIJQJNRQSA-N
MW326.31 g/mol
LogP0.58
Rot. Bonds4

About N-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide

N-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 135685457) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
PubChem CID135685457
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC NameN-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide
SMILESNC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C16H14N4O4/c17-14(22)10-5-7-12(8-6-10)19-15(23)16(24)20-18-9-11-3-1-2-4-13(11)21/h1-9,21H,(H2,17,22)(H,19,23)(H,20,24)/b18-9+
InChIKeyLDXXZOKYYKNLHX-GIJQJNRQSA-N
XLogP0.58
TPSA133.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Related Compounds

N-(4-carbamoylphenyl)-N'-[(E)-(2-chlorophenyl)methylideneamino]oxamide
CID 19660036
N-(4-carbamoylphenyl)-N'-[(E)-(2,3-dichlorophenyl)methylideneamino]oxamide
CID 19661193
N-(4-carbamoylphenyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxamide
CID 4123136
N'-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135531553
N-(4-carbamoylphenyl)-N'-[(2,6-dichlorophenyl)methylideneamino]oxamide
CID 3527403
N-(4-carbamoylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 19660758
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
N-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide
CID 3506666
N-(4-fluorophenyl)-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylideneacetamide
CID 136625821
N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136909047
N-(4-carbamoylphenyl)-N'-[(E)-2-phenylpropylideneamino]oxamide
CID 19659235
N-(4-bromophenyl)-N'-[(2-methylphenyl)methylideneamino]oxamide
CID 3672050

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide (CID 135685457) is N-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide is NC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccccc2O)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is LDXXZOKYYKNLHX-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H14N4O4/c17-14(22)10-5-7-12(8-6-10)19-15(23)16(24)20-18-9-11-3-1-2-4-13(11)21/h1-9,21H,(H2,17,22)(H,19,23)(H,20,24)/b18-9+.
What are the key properties of N-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide?
N-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide has a molecular weight of 326.31 g/mol, XLogP of 0.58, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-N'-[(E)-(2-hydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135685457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).