N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide

C21H22N4O6 — CID 136690284

IUPACN'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
SMILESCOc1cc(/C=N\NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C21H22N4O6/c1-30-18-12-14(6-7-17(18)26)13-22-24-20(28)19(27)23-16-5-3-2-4-15(16)21(29)25-8-10-31-11-9-25/h2-7,12-13,26H,8-11H2,1H3,(H,23,27)(H,24,28)/b22-13-
InChIKeyOLYMASVIVXEOOL-XKZIYDEJSA-N
MW426.43 g/mol
LogP0.96
Rot. Bonds5

About N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide

N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide (PubChem CID 136690284) has the molecular formula C21H22N4O6 and a molecular weight of 426.43 g/mol. Its IUPAC name is N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
PubChem CID136690284
Molecular FormulaC21H22N4O6
Molecular Weight426.43 g/mol
Exact Mass426.15
IUPAC NameN'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
SMILESCOc1cc(/C=N\NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)ccc1O
InChIInChI=1S/C21H22N4O6/c1-30-18-12-14(6-7-17(18)26)13-22-24-20(28)19(27)23-16-5-3-2-4-15(16)21(29)25-8-10-31-11-9-25/h2-7,12-13,26H,8-11H2,1H3,(H,23,27)(H,24,28)/b22-13-
InChIKeyOLYMASVIVXEOOL-XKZIYDEJSA-N
XLogP0.96
TPSA129.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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'}

Analyze N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 136690328
methyl 4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 6106405
N'-[(2-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 4559649
N'-[(4-butoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 3418845
N'-[(Z)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126157320
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 5049729
N-(2-ethylphenyl)-N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136864574
N'-[(Z)-furan-2-ylmethylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 6027752
N-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6018951
N-(2-ethoxyphenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 135554201
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 135956316
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 92844365

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide?
The IUPAC name of N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide (CID 136690284) is N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide.
What is the SMILES notation for N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide?
The canonical SMILES for N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide is COc1cc(/C=N\NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)ccc1O.
What is the InChIKey of N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide?
The InChIKey is OLYMASVIVXEOOL-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H22N4O6/c1-30-18-12-14(6-7-17(18)26)13-22-24-20(28)19(27)23-16-5-3-2-4-15(16)21(29)25-8-10-31-11-9-25/h2-7,12-13,26H,8-11H2,1H3,(H,23,27)(H,24,28)/b22-13-.
What are the key properties of N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide?
N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide has a molecular weight of 426.43 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide is sourced from PubChem (CID 136690284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).