ethyl 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoate

C23H29NO4 — CID 57090080

IUPACethyl 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoate
SMILESCCOC(=O)CCCCCC=C(NOCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C23H29NO4/c1-2-27-23(26)13-9-4-3-8-12-22(20-10-6-5-7-11-20)24-28-18-19-14-16-21(25)17-15-19/h5-7,10-12,14-17,24-25H,2-4,8-9,13,18H2,1H3
InChIKeyUYDYAUAJIHELDF-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.97
Rot. Bonds12

About ethyl 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoate

ethyl 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoate (PubChem CID 57090080) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is ethyl 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoate.

Molecular Properties

Compound Nameethyl 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoate
PubChem CID57090080
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Nameethyl 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoate
SMILESCCOC(=O)CCCCCC=C(NOCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C23H29NO4/c1-2-27-23(26)13-9-4-3-8-12-22(20-10-6-5-7-11-20)24-28-18-19-14-16-21(25)17-15-19/h5-7,10-12,14-17,24-25H,2-4,8-9,13,18H2,1H3
InChIKeyUYDYAUAJIHELDF-UHFFFAOYSA-N
XLogP4.97
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoate?
The IUPAC name of ethyl 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoate (CID 57090080) is ethyl 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoate.
What is the SMILES notation for ethyl 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoate?
The canonical SMILES for ethyl 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoate is CCOC(=O)CCCCCC=C(NOCc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of ethyl 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoate?
The InChIKey is UYDYAUAJIHELDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-2-27-23(26)13-9-4-3-8-12-22(20-10-6-5-7-11-20)24-28-18-19-14-16-21(25)17-15-19/h5-7,10-12,14-17,24-25H,2-4,8-9,13,18H2,1H3.
What are the key properties of ethyl 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoate?
ethyl 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoate has a molecular weight of 383.49 g/mol, XLogP of 4.97, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-[(4-hydroxyphenyl)methoxyamino]-8-phenyloct-7-enoate is sourced from PubChem (CID 57090080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).