N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide

C23H20N4O5 — CID 3644481

IUPACN'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
SMILESCOc1cccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1O
InChIInChI=1S/C23H20N4O5/c1-32-19-13-7-8-15(20(19)28)14-24-27-23(31)22(30)26-18-12-6-5-11-17(18)21(29)25-16-9-3-2-4-10-16/h2-14,28H,1H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyIAYWNBWIVACLLR-UHFFFAOYSA-N
MW432.44 g/mol
LogP2.74
Rot. Bonds6

About N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide

N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide (PubChem CID 3644481) has the molecular formula C23H20N4O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
PubChem CID3644481
Molecular FormulaC23H20N4O5
Molecular Weight432.44 g/mol
Exact Mass432.14
IUPAC NameN'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
SMILESCOc1cccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1O
InChIInChI=1S/C23H20N4O5/c1-32-19-13-7-8-15(20(19)28)14-24-27-23(31)22(30)26-18-12-6-5-11-17(18)21(29)25-16-9-3-2-4-10-16/h2-14,28H,1H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyIAYWNBWIVACLLR-UHFFFAOYSA-N
XLogP2.74
TPSA129.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 4201940
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 5146554
N-[2-(phenylcarbamoyl)phenyl]-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 45054984
N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136739203
N-(2-bromophenyl)-N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 4029992
N-(2-ethylphenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 135554301
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 92844365
2-chloro-N-[4-[[(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 1246601
N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 136704523
methyl 4-[(Z)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]benzoate
CID 92844354
N-(4-ethylphenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136911866
2-chloro-N-[3-[[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 136897253

Frequently Asked Questions

What is the IUPAC name of N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide?
The IUPAC name of N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide (CID 3644481) is N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide.
What is the SMILES notation for N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide?
The canonical SMILES for N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide is COc1cccc(C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1O.
What is the InChIKey of N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide?
The InChIKey is IAYWNBWIVACLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5/c1-32-19-13-7-8-15(20(19)28)14-24-27-23(31)22(30)26-18-12-6-5-11-17(18)21(29)25-16-9-3-2-4-10-16/h2-14,28H,1H3,(H,25,29)(H,26,30)(H,27,31).
What are the key properties of N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide?
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide has a molecular weight of 432.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide is sourced from PubChem (CID 3644481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).