phenyl 5-ethyliminooctadecanoate

C26H43NO2 — CID 139895366

IUPACphenyl 5-ethyliminooctadecanoate
SMILESCCCCCCCCCCCCC/C(CCCC(=O)Oc1ccccc1)=N\CC
InChIInChI=1S/C26H43NO2/c1-3-5-6-7-8-9-10-11-12-13-15-19-24(27-4-2)20-18-23-26(28)29-25-21-16-14-17-22-25/h14,16-17,21-22H,3-13,15,18-20,23H2,1-2H3/b27-24+
InChIKeyYBXHGTZLLDWCHK-SOYKGTTHSA-N
MW401.64 g/mol
LogP7.92
Rot. Bonds18

About phenyl 5-ethyliminooctadecanoate

phenyl 5-ethyliminooctadecanoate (PubChem CID 139895366) has the molecular formula C26H43NO2 and a molecular weight of 401.64 g/mol. Its IUPAC name is phenyl 5-ethyliminooctadecanoate.

Molecular Properties

Compound Namephenyl 5-ethyliminooctadecanoate
PubChem CID139895366
Molecular FormulaC26H43NO2
Molecular Weight401.64 g/mol
Exact Mass401.33
IUPAC Namephenyl 5-ethyliminooctadecanoate
SMILESCCCCCCCCCCCCC/C(CCCC(=O)Oc1ccccc1)=N\CC
InChIInChI=1S/C26H43NO2/c1-3-5-6-7-8-9-10-11-12-13-15-19-24(27-4-2)20-18-23-26(28)29-25-21-16-14-17-22-25/h14,16-17,21-22H,3-13,15,18-20,23H2,1-2H3/b27-24+
InChIKeyYBXHGTZLLDWCHK-SOYKGTTHSA-N
XLogP7.92
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl 5-methyliminooctadecanoate
CID 139895338
phenyl tridecanoate
CID 54389784
phenyl hexapentacontanoate
CID 139682998
phenyl hexacosanoate
CID 23321598
phenyl dopentacontanoate
CID 139682818
phenyl triacontanoate
CID 54018873
alumane;phenyl octadecanoate
CID 173442753
mercury;phenyl octadecanoate
CID 158061503
6-O-phenyl 1-O-undecyl hexanedioate
CID 91713633
diphenyl nonanedioate
CID 18428919
dimethyl-octyl-(11-oxo-11-phenoxyundecyl)azanium chloride
CID 23432839
naphthalen-2-yl hexadecanoate;phenyl hexadecanoate
CID 157132352

Frequently Asked Questions

What is the IUPAC name of phenyl 5-ethyliminooctadecanoate?
The IUPAC name of phenyl 5-ethyliminooctadecanoate (CID 139895366) is phenyl 5-ethyliminooctadecanoate.
What is the SMILES notation for phenyl 5-ethyliminooctadecanoate?
The canonical SMILES for phenyl 5-ethyliminooctadecanoate is CCCCCCCCCCCCC/C(CCCC(=O)Oc1ccccc1)=N\CC.
What is the InChIKey of phenyl 5-ethyliminooctadecanoate?
The InChIKey is YBXHGTZLLDWCHK-SOYKGTTHSA-N. The full InChI is InChI=1S/C26H43NO2/c1-3-5-6-7-8-9-10-11-12-13-15-19-24(27-4-2)20-18-23-26(28)29-25-21-16-14-17-22-25/h14,16-17,21-22H,3-13,15,18-20,23H2,1-2H3/b27-24+.
What are the key properties of phenyl 5-ethyliminooctadecanoate?
phenyl 5-ethyliminooctadecanoate has a molecular weight of 401.64 g/mol, XLogP of 7.92, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 5-ethyliminooctadecanoate is sourced from PubChem (CID 139895366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).