ethyl 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoate

C21H25NO4 — CID 57078379

IUPACethyl 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoate
SMILESCCOC(=O)CCCC=C(NOCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C21H25NO4/c1-2-25-21(24)11-7-6-10-20(18-8-4-3-5-9-18)22-26-16-17-12-14-19(23)15-13-17/h3-5,8-10,12-15,22-23H,2,6-7,11,16H2,1H3
InChIKeyRLNZIKMLRCOFCB-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.19
Rot. Bonds10

About ethyl 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoate

ethyl 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoate (PubChem CID 57078379) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is ethyl 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoate.

Molecular Properties

Compound Nameethyl 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoate
PubChem CID57078379
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Nameethyl 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoate
SMILESCCOC(=O)CCCC=C(NOCc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C21H25NO4/c1-2-25-21(24)11-7-6-10-20(18-8-4-3-5-9-18)22-26-16-17-12-14-19(23)15-13-17/h3-5,8-10,12-15,22-23H,2,6-7,11,16H2,1H3
InChIKeyRLNZIKMLRCOFCB-UHFFFAOYSA-N
XLogP4.19
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.19
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 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoate?
The IUPAC name of ethyl 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoate (CID 57078379) is ethyl 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoate.
What is the SMILES notation for ethyl 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoate?
The canonical SMILES for ethyl 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoate is CCOC(=O)CCCC=C(NOCc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of ethyl 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoate?
The InChIKey is RLNZIKMLRCOFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-2-25-21(24)11-7-6-10-20(18-8-4-3-5-9-18)22-26-16-17-12-14-19(23)15-13-17/h3-5,8-10,12-15,22-23H,2,6-7,11,16H2,1H3.
What are the key properties of ethyl 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoate?
ethyl 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoate has a molecular weight of 355.43 g/mol, XLogP of 4.19, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(4-hydroxyphenyl)methoxyamino]-6-phenylhex-5-enoate is sourced from PubChem (CID 57078379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).