cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate

C27H36N4O4 — CID 11431589

IUPACcyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)cc(OCCCC(=O)OC3CCCCC3)n2)c1
InChIInChI=1S/C27H36N4O4/c1-21-7-5-8-22(17-21)20-28-30-25-18-23(31-12-15-33-16-13-31)19-26(29-25)34-14-6-11-27(32)35-24-9-3-2-4-10-24/h5,7-8,17-20,24H,2-4,6,9-16H2,1H3,(H,29,30)/b28-20+
InChIKeyUJFSHXYBELDWHR-VFCFBJKWSA-N
MW480.61 g/mol
LogP4.71
Rot. Bonds10

About cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate

cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate (PubChem CID 11431589) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate.

Molecular Properties

Compound Namecyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate
PubChem CID11431589
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC Namecyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate
SMILESCc1cccc(/C=N/Nc2cc(N3CCOCC3)cc(OCCCC(=O)OC3CCCCC3)n2)c1
InChIInChI=1S/C27H36N4O4/c1-21-7-5-8-22(17-21)20-28-30-25-18-23(31-12-15-33-16-13-31)19-26(29-25)34-14-6-11-27(32)35-24-9-3-2-4-10-24/h5,7-8,17-20,24H,2-4,6,9-16H2,1H3,(H,29,30)/b28-20+
InChIKeyUJFSHXYBELDWHR-VFCFBJKWSA-N
XLogP4.71
TPSA85.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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'}

Analyze cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate with MolForge

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Related Compounds

2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl cyclohexanecarboxylate
CID 66682133
4-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]butan-2-one
CID 59673873
2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl morpholine-4-carboxylate
CID 11431329
6-[2-(methylamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 11314679
6-[2-(methylamino)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66683567
6-[2-(cyclohexylideneamino)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 11224336
6-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 11190459
2-[2-[[6-[2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethoxy]ethanol
CID 66682083
N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-pyridin-2-yloxyethoxy)pyridin-2-amine
CID 66683643
6-[2-(diethylamino)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682112
6-[2-(4-ethylpiperazin-1-yl)ethoxy]-N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-ylpyridin-2-amine
CID 66682225
1-[2-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]ethyl]pyrrolidine-2,4-dione
CID 118162393

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate?
The IUPAC name of cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate (CID 11431589) is cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate.
What is the SMILES notation for cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate?
The canonical SMILES for cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate is Cc1cccc(/C=N/Nc2cc(N3CCOCC3)cc(OCCCC(=O)OC3CCCCC3)n2)c1.
What is the InChIKey of cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate?
The InChIKey is UJFSHXYBELDWHR-VFCFBJKWSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-21-7-5-8-22(17-21)20-28-30-25-18-23(31-12-15-33-16-13-31)19-26(29-25)34-14-6-11-27(32)35-24-9-3-2-4-10-24/h5,7-8,17-20,24H,2-4,6,9-16H2,1H3,(H,29,30)/b28-20+.
What are the key properties of cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate?
cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate has a molecular weight of 480.61 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-[[6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanoate is sourced from PubChem (CID 11431589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).