N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide

C17H17N3O4 — CID 135821327

IUPACN'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C17H17N3O4/c1-24-15-8-4-12(5-9-15)10-18-16(22)17(23)20-19-11-13-2-6-14(21)7-3-13/h2-9,11,21H,10H2,1H3,(H,18,22)(H,20,23)/b19-11+
InChIKeyXUAWNDMVBQWHNC-YBFXNURJSA-N
MW327.34 g/mol
LogP1.17
Rot. Bonds5

About N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide

N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide (PubChem CID 135821327) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
PubChem CID135821327
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C17H17N3O4/c1-24-15-8-4-12(5-9-15)10-18-16(22)17(23)20-19-11-13-2-6-14(21)7-3-13/h2-9,11,21H,10H2,1H3,(H,18,22)(H,20,23)/b19-11+
InChIKeyXUAWNDMVBQWHNC-YBFXNURJSA-N
XLogP1.17
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 94832376
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 135583538
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968721
N'-[(Z)-[4-[2-(cyclohexylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 94863537
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 4071709
N'-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126259031
N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]phenyl]methylideneamino]oxamide
CID 94863538
N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126278911
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]oxamide
CID 8900282
N'-[(Z)-[4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126261578
N-[(4-hydroxyphenyl)methylideneamino]-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 3693405
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 136899311

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide (CID 135821327) is N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide is COc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(O)cc2)cc1.
What is the InChIKey of N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide?
The InChIKey is XUAWNDMVBQWHNC-YBFXNURJSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-24-15-8-4-12(5-9-15)10-18-16(22)17(23)20-19-11-13-2-6-14(21)7-3-13/h2-9,11,21H,10H2,1H3,(H,18,22)(H,20,23)/b19-11+.
What are the key properties of N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide?
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide has a molecular weight of 327.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 135821327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).