[2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate

C30H38N4O8 — CID 98310557

IUPAC[2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate
SMILESCOc1ccc(OC(C)=O)c(/C=N\NC(=O)CCCCCCCCC(=O)N/N=C\c2cc(OC)ccc2OC(C)=O)c1
InChIInChI=1S/C30H38N4O8/c1-21(35)41-27-15-13-25(39-3)17-23(27)19-31-33-29(37)11-9-7-5-6-8-10-12-30(38)34-32-20-24-18-26(40-4)14-16-28(24)42-22(2)36/h13-20H,5-12H2,1-4H3,(H,33,37)(H,34,38)/b31-19-,32-20-
InChIKeyYQWCDEWKWBXAIK-CDSIFPFTSA-N
MW582.65 g/mol
LogP4.28
Rot. Bonds17

About [2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate

[2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate (PubChem CID 98310557) has the molecular formula C30H38N4O8 and a molecular weight of 582.65 g/mol. Its IUPAC name is [2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate.

Molecular Properties

Compound Name[2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate
PubChem CID98310557
Molecular FormulaC30H38N4O8
Molecular Weight582.65 g/mol
Exact Mass582.27
IUPAC Name[2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate
SMILESCOc1ccc(OC(C)=O)c(/C=N\NC(=O)CCCCCCCCC(=O)N/N=C\c2cc(OC)ccc2OC(C)=O)c1
InChIInChI=1S/C30H38N4O8/c1-21(35)41-27-15-13-25(39-3)17-23(27)19-31-33-29(37)11-9-7-5-6-8-10-12-30(38)34-32-20-24-18-26(40-4)14-16-28(24)42-22(2)36/h13-20H,5-12H2,1-4H3,(H,33,37)(H,34,38)/b31-19-,32-20-
InChIKeyYQWCDEWKWBXAIK-CDSIFPFTSA-N
XLogP4.28
TPSA153.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.65
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate with MolForge

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Related Compounds

[2-[[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 1243771
[2-[(E)-[[2-(4-butylphenoxy)acetyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate
CID 46501404
N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]dodecanamide
CID 6260724
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]hexadecanamide
CID 136806672
N-[(Z)-(2-bromo-5-methoxyphenyl)methylideneamino]octadecanamide
CID 124632237
N,N'-bis[(2,4,5-trimethoxyphenyl)methylideneamino]octanediamide
CID 3495405
8-[(2E)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 135665742
[2-[(Z)-[[9-[(2Z)-2-[[2-(4-methoxybenzoyl)oxyphenyl]methylidene]hydrazinyl]-9-oxononanoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6019219
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 3962833
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(4-fluorophenyl)butanediamide
CID 4552108
[2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 5410556
4-(2-bromo-4-methylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]butanamide
CID 19208062

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate?
The IUPAC name of [2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate (CID 98310557) is [2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate.
What is the SMILES notation for [2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate?
The canonical SMILES for [2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate is COc1ccc(OC(C)=O)c(/C=N\NC(=O)CCCCCCCCC(=O)N/N=C\c2cc(OC)ccc2OC(C)=O)c1.
What is the InChIKey of [2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate?
The InChIKey is YQWCDEWKWBXAIK-CDSIFPFTSA-N. The full InChI is InChI=1S/C30H38N4O8/c1-21(35)41-27-15-13-25(39-3)17-23(27)19-31-33-29(37)11-9-7-5-6-8-10-12-30(38)34-32-20-24-18-26(40-4)14-16-28(24)42-22(2)36/h13-20H,5-12H2,1-4H3,(H,33,37)(H,34,38)/b31-19-,32-20-.
What are the key properties of [2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate?
[2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate has a molecular weight of 582.65 g/mol, XLogP of 4.28, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-[[10-[(2Z)-2-[(2-acetyloxy-5-methoxyphenyl)methylidene]hydrazinyl]-10-oxodecanoyl]hydrazinylidene]methyl]-4-methoxyphenyl] acetate is sourced from PubChem (CID 98310557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).