[4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate

C22H24N2O5 — CID 9357789

IUPAC[4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
SMILESCCc1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)C3CC3)c(OC)c2)cc1
InChIInChI=1S/C22H24N2O5/c1-3-15-4-9-18(10-5-15)28-14-21(25)24-23-13-16-6-11-19(20(12-16)27-2)29-22(26)17-7-8-17/h4-6,9-13,17H,3,7-8,14H2,1-2H3,(H,24,25)/b23-13-
InChIKeyQOMUZXJUIOCPRS-QRVIBDJDSA-N
MW396.44 g/mol
LogP3.10
Rot. Bonds9

About [4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate

[4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate (PubChem CID 9357789) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is [4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
PubChem CID9357789
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name[4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
SMILESCCc1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)C3CC3)c(OC)c2)cc1
InChIInChI=1S/C22H24N2O5/c1-3-15-4-9-18(10-5-15)28-14-21(25)24-23-13-16-6-11-19(20(12-16)27-2)29-22(26)17-7-8-17/h4-6,9-13,17H,3,7-8,14H2,1-2H3,(H,24,25)/b23-13-
InChIKeyQOMUZXJUIOCPRS-QRVIBDJDSA-N
XLogP3.10
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-butoxybenzoate
CID 6261178
[4-[[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
CID 4230498
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4041679
[2-ethoxy-4-[[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 4179543
[4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9234824
[4-[(Z)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6020753
[2-methoxy-4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4112044
[4-[(E)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzenesulfonate
CID 6907363
[2-methoxy-4-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6003509
[4-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6031801
[2-methoxy-4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 4609095
[2-ethoxy-4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 6073325

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate?
The IUPAC name of [4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate (CID 9357789) is [4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate.
What is the SMILES notation for [4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate?
The canonical SMILES for [4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate is CCc1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)C3CC3)c(OC)c2)cc1.
What is the InChIKey of [4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate?
The InChIKey is QOMUZXJUIOCPRS-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-3-15-4-9-18(10-5-15)28-14-21(25)24-23-13-16-6-11-19(20(12-16)27-2)29-22(26)17-7-8-17/h4-6,9-13,17H,3,7-8,14H2,1-2H3,(H,24,25)/b23-13-.
What are the key properties of [4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate?
[4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate has a molecular weight of 396.44 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate is sourced from PubChem (CID 9357789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).