methyl 4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate

C22H22N4O6 — CID 6106405

IUPACmethyl 4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H22N4O6/c1-31-22(30)16-8-6-15(7-9-16)14-23-25-20(28)19(27)24-18-5-3-2-4-17(18)21(29)26-10-12-32-13-11-26/h2-9,14H,10-13H2,1H3,(H,24,27)(H,25,28)/b23-14-
InChIKeyWCCFTRNIWNLFAA-UCQKPKSFSA-N
MW438.44 g/mol
LogP1.03
Rot. Bonds5

About methyl 4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate

methyl 4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate (PubChem CID 6106405) has the molecular formula C22H22N4O6 and a molecular weight of 438.44 g/mol. Its IUPAC name is methyl 4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate
PubChem CID6106405
Molecular FormulaC22H22N4O6
Molecular Weight438.44 g/mol
Exact Mass438.15
IUPAC Namemethyl 4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H22N4O6/c1-31-22(30)16-8-6-15(7-9-16)14-23-25-20(28)19(27)24-18-5-3-2-4-17(18)21(29)26-10-12-32-13-11-26/h2-9,14H,10-13H2,1H3,(H,24,27)(H,25,28)/b23-14-
InChIKeyWCCFTRNIWNLFAA-UCQKPKSFSA-N
XLogP1.03
TPSA126.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 136690328
N'-[(4-butoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 3418845
N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 136690284
N'-[(2-hydroxyphenyl)methylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 4559649
N'-[(Z)-furan-2-ylmethylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 6027752
methyl 4-[(Z)-[[2-oxo-2-[2-(phenylcarbamoyl)anilino]acetyl]hydrazinylidene]methyl]benzoate
CID 92844354
N-[2-(morpholine-4-carbonyl)phenyl]-N'-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6018951
methyl 4-[[[2-(2,3-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 3877148
methyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
CID 740590
N'-[(Z)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126157320
4-[[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 2248354
N,N'-bis[2-(morpholine-4-carbonyl)phenyl]decanediamide
CID 17080133

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate (CID 6106405) is methyl 4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate is COC(=O)c1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1.
What is the InChIKey of methyl 4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate?
The InChIKey is WCCFTRNIWNLFAA-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H22N4O6/c1-31-22(30)16-8-6-15(7-9-16)14-23-25-20(28)19(27)24-18-5-3-2-4-17(18)21(29)26-10-12-32-13-11-26/h2-9,14H,10-13H2,1H3,(H,24,27)(H,25,28)/b23-14-.
What are the key properties of methyl 4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate?
methyl 4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate has a molecular weight of 438.44 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(Z)-[[2-[2-(morpholine-4-carbonyl)anilino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 6106405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).