ethyl 5-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoate

C18H29N3O3 — CID 10042598

IUPACethyl 5-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoate
SMILESCCOC(=O)CCCCO/N=C(\Cn1ccnc1)C1CCCCC1
InChIInChI=1S/C18H29N3O3/c1-2-23-18(22)10-6-7-13-24-20-17(14-21-12-11-19-15-21)16-8-4-3-5-9-16/h11-12,15-16H,2-10,13-14H2,1H3/b20-17+
InChIKeyMAHQXFVPUQANKD-LVZFUZTISA-N
MW335.45 g/mol
LogP3.57
Rot. Bonds10

About ethyl 5-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoate

ethyl 5-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoate (PubChem CID 10042598) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is ethyl 5-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoate.

Molecular Properties

Compound Nameethyl 5-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoate
PubChem CID10042598
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Nameethyl 5-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoate
SMILESCCOC(=O)CCCCO/N=C(\Cn1ccnc1)C1CCCCC1
InChIInChI=1S/C18H29N3O3/c1-2-23-18(22)10-6-7-13-24-20-17(14-21-12-11-19-15-21)16-8-4-3-5-9-16/h11-12,15-16H,2-10,13-14H2,1H3/b20-17+
InChIKeyMAHQXFVPUQANKD-LVZFUZTISA-N
XLogP3.57
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoate?
The IUPAC name of ethyl 5-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoate (CID 10042598) is ethyl 5-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoate.
What is the SMILES notation for ethyl 5-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoate?
The canonical SMILES for ethyl 5-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoate is CCOC(=O)CCCCO/N=C(\Cn1ccnc1)C1CCCCC1.
What is the InChIKey of ethyl 5-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoate?
The InChIKey is MAHQXFVPUQANKD-LVZFUZTISA-N. The full InChI is InChI=1S/C18H29N3O3/c1-2-23-18(22)10-6-7-13-24-20-17(14-21-12-11-19-15-21)16-8-4-3-5-9-16/h11-12,15-16H,2-10,13-14H2,1H3/b20-17+.
What are the key properties of ethyl 5-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoate?
ethyl 5-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoate has a molecular weight of 335.45 g/mol, XLogP of 3.57, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(Z)-(1-cyclohexyl-2-imidazol-1-ylethylidene)amino]oxypentanoate is sourced from PubChem (CID 10042598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).