methyl 4-[(Z)-[[2-[2-[(2Z)-2-[[4-[(R)-hydroxy(methoxy)methyl]phenyl]methylidene]hydrazinyl]-2-oxoethoxy]acetyl]hydrazinylidene]methyl]benzoate

C22H24N4O7 — CID 40879838

IUPACmethyl 4-[(Z)-[[2-[2-[(2Z)-2-[[4-[(R)-hydroxy(methoxy)methyl]phenyl]methylidene]hydrazinyl]-2-oxoethoxy]acetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N\NC(=O)COCC(=O)N/N=C\c2ccc([C@H](O)OC)cc2)cc1
InChIInChI=1S/C22H24N4O7/c1-31-21(29)17-7-3-15(4-8-17)11-23-25-19(27)13-33-14-20(28)26-24-12-16-5-9-18(10-6-16)22(30)32-2/h3-12,21,29H,13-14H2,1-2H3,(H,25,27)(H,26,28)/b23-11-,24-12-/t21-/m1/s1
InChIKeyRGSRNAFFFUTEEW-KJLUCYSNSA-N
MW456.46 g/mol
LogP0.73
Rot. Bonds11

About methyl 4-[(Z)-[[2-[2-[(2Z)-2-[[4-[(R)-hydroxy(methoxy)methyl]phenyl]methylidene]hydrazinyl]-2-oxoethoxy]acetyl]hydrazinylidene]methyl]benzoate

methyl 4-[(Z)-[[2-[2-[(2Z)-2-[[4-[(R)-hydroxy(methoxy)methyl]phenyl]methylidene]hydrazinyl]-2-oxoethoxy]acetyl]hydrazinylidene]methyl]benzoate (PubChem CID 40879838) has the molecular formula C22H24N4O7 and a molecular weight of 456.46 g/mol. Its IUPAC name is methyl 4-[(Z)-[[2-[2-[(2Z)-2-[[4-[(R)-hydroxy(methoxy)methyl]phenyl]methylidene]hydrazinyl]-2-oxoethoxy]acetyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(Z)-[[2-[2-[(2Z)-2-[[4-[(R)-hydroxy(methoxy)methyl]phenyl]methylidene]hydrazinyl]-2-oxoethoxy]acetyl]hydrazinylidene]methyl]benzoate
PubChem CID40879838
Molecular FormulaC22H24N4O7
Molecular Weight456.46 g/mol
Exact Mass456.16
IUPAC Namemethyl 4-[(Z)-[[2-[2-[(2Z)-2-[[4-[(R)-hydroxy(methoxy)methyl]phenyl]methylidene]hydrazinyl]-2-oxoethoxy]acetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(/C=N\NC(=O)COCC(=O)N/N=C\c2ccc([C@H](O)OC)cc2)cc1
InChIInChI=1S/C22H24N4O7/c1-31-21(29)17-7-3-15(4-8-17)11-23-25-19(27)13-33-14-20(28)26-24-12-16-5-9-18(10-6-16)22(30)32-2/h3-12,21,29H,13-14H2,1-2H3,(H,25,27)(H,26,28)/b23-11-,24-12-/t21-/m1/s1
InChIKeyRGSRNAFFFUTEEW-KJLUCYSNSA-N
XLogP0.73
TPSA147.91 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 4-[(Z)-[[2-[2-[(2Z)-2-[[4-[(R)-hydroxy(methoxy)methyl]phenyl]methylidene]hydrazinyl]-2-oxoethoxy]acetyl]hydrazinylidene]methyl]benzoate 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

methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 2303785
methyl 4-[[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 1381755
methyl 4-[(E)-[[2-(2,3,6-trimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 6894994
methyl 4-[(Z)-(hexadecanoylhydrazinylidene)methyl]benzoate
CID 98298248
methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 4266785
methyl 4-[(E)-[(4-methoxycarbonylphenyl)-[(E)-(4-methoxycarbonylphenyl)methylideneamino]methyl]iminomethyl]benzoate
CID 53473073
methyl 4-[[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate
CID 3105043
methyl 4-[(Z)-[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]benzoate
CID 5401590
methyl 4-[(Z)-[(2-pyrimidin-2-ylsulfanylacetyl)hydrazinylidene]methyl]benzoate
CID 5400623
methyl 4-[[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate
CID 1153879
methyl 4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9242023
methyl 4-[[[4-[[(4-methoxycarbonylphenyl)methylideneamino]carbamoyl]phenyl]hydrazinylidene]methyl]benzoate
CID 4090499

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(Z)-[[2-[2-[(2Z)-2-[[4-[(R)-hydroxy(methoxy)methyl]phenyl]methylidene]hydrazinyl]-2-oxoethoxy]acetyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 4-[(Z)-[[2-[2-[(2Z)-2-[[4-[(R)-hydroxy(methoxy)methyl]phenyl]methylidene]hydrazinyl]-2-oxoethoxy]acetyl]hydrazinylidene]methyl]benzoate (CID 40879838) is methyl 4-[(Z)-[[2-[2-[(2Z)-2-[[4-[(R)-hydroxy(methoxy)methyl]phenyl]methylidene]hydrazinyl]-2-oxoethoxy]acetyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[(Z)-[[2-[2-[(2Z)-2-[[4-[(R)-hydroxy(methoxy)methyl]phenyl]methylidene]hydrazinyl]-2-oxoethoxy]acetyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[(Z)-[[2-[2-[(2Z)-2-[[4-[(R)-hydroxy(methoxy)methyl]phenyl]methylidene]hydrazinyl]-2-oxoethoxy]acetyl]hydrazinylidene]methyl]benzoate is COC(=O)c1ccc(/C=N\NC(=O)COCC(=O)N/N=C\c2ccc([C@H](O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[(Z)-[[2-[2-[(2Z)-2-[[4-[(R)-hydroxy(methoxy)methyl]phenyl]methylidene]hydrazinyl]-2-oxoethoxy]acetyl]hydrazinylidene]methyl]benzoate?
The InChIKey is RGSRNAFFFUTEEW-KJLUCYSNSA-N. The full InChI is InChI=1S/C22H24N4O7/c1-31-21(29)17-7-3-15(4-8-17)11-23-25-19(27)13-33-14-20(28)26-24-12-16-5-9-18(10-6-16)22(30)32-2/h3-12,21,29H,13-14H2,1-2H3,(H,25,27)(H,26,28)/b23-11-,24-12-/t21-/m1/s1.
What are the key properties of methyl 4-[(Z)-[[2-[2-[(2Z)-2-[[4-[(R)-hydroxy(methoxy)methyl]phenyl]methylidene]hydrazinyl]-2-oxoethoxy]acetyl]hydrazinylidene]methyl]benzoate?
methyl 4-[(Z)-[[2-[2-[(2Z)-2-[[4-[(R)-hydroxy(methoxy)methyl]phenyl]methylidene]hydrazinyl]-2-oxoethoxy]acetyl]hydrazinylidene]methyl]benzoate has a molecular weight of 456.46 g/mol, XLogP of 0.73, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(Z)-[[2-[2-[(2Z)-2-[[4-[(R)-hydroxy(methoxy)methyl]phenyl]methylidene]hydrazinyl]-2-oxoethoxy]acetyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 40879838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).