phenyl 5-methyliminooctadecanoate

C25H41NO2 — CID 139895338

IUPACphenyl 5-methyliminooctadecanoate
SMILESCCCCCCCCCCCCC/C(CCCC(=O)Oc1ccccc1)=N\C
InChIInChI=1S/C25H41NO2/c1-3-4-5-6-7-8-9-10-11-12-14-18-23(26-2)19-17-22-25(27)28-24-20-15-13-16-21-24/h13,15-16,20-21H,3-12,14,17-19,22H2,1-2H3/b26-23+
InChIKeyGPVPNQFPYUMYGU-WNAAXNPUSA-N
MW387.61 g/mol
LogP7.53
Rot. Bonds17

About phenyl 5-methyliminooctadecanoate

phenyl 5-methyliminooctadecanoate (PubChem CID 139895338) has the molecular formula C25H41NO2 and a molecular weight of 387.61 g/mol. Its IUPAC name is phenyl 5-methyliminooctadecanoate.

Molecular Properties

Compound Namephenyl 5-methyliminooctadecanoate
PubChem CID139895338
Molecular FormulaC25H41NO2
Molecular Weight387.61 g/mol
Exact Mass387.31
IUPAC Namephenyl 5-methyliminooctadecanoate
SMILESCCCCCCCCCCCCC/C(CCCC(=O)Oc1ccccc1)=N\C
InChIInChI=1S/C25H41NO2/c1-3-4-5-6-7-8-9-10-11-12-14-18-23(26-2)19-17-22-25(27)28-24-20-15-13-16-21-24/h13,15-16,20-21H,3-12,14,17-19,22H2,1-2H3/b26-23+
InChIKeyGPVPNQFPYUMYGU-WNAAXNPUSA-N
XLogP7.53
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 57.53
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'}

Analyze phenyl 5-methyliminooctadecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl hexapentacontanoate
CID 139682998
phenyl hexacosanoate
CID 23321598
phenyl tridecanoate
CID 54389784
phenyl dopentacontanoate
CID 139682818
phenyl triacontanoate
CID 54018873
phenyl 5-ethyliminooctadecanoate
CID 139895366
alumane;phenyl octadecanoate
CID 173442753
mercury;phenyl octadecanoate
CID 158061503
6-O-phenyl 1-O-undecyl hexanedioate
CID 91713633
diphenyl nonanedioate
CID 18428919
naphthalen-2-yl hexadecanoate;phenyl hexadecanoate
CID 157132352
dimethyl-octyl-(11-oxo-11-phenoxyundecyl)azanium chloride
CID 23432839

Frequently Asked Questions

What is the IUPAC name of phenyl 5-methyliminooctadecanoate?
The IUPAC name of phenyl 5-methyliminooctadecanoate (CID 139895338) is phenyl 5-methyliminooctadecanoate.
What is the SMILES notation for phenyl 5-methyliminooctadecanoate?
The canonical SMILES for phenyl 5-methyliminooctadecanoate is CCCCCCCCCCCCC/C(CCCC(=O)Oc1ccccc1)=N\C.
What is the InChIKey of phenyl 5-methyliminooctadecanoate?
The InChIKey is GPVPNQFPYUMYGU-WNAAXNPUSA-N. The full InChI is InChI=1S/C25H41NO2/c1-3-4-5-6-7-8-9-10-11-12-14-18-23(26-2)19-17-22-25(27)28-24-20-15-13-16-21-24/h13,15-16,20-21H,3-12,14,17-19,22H2,1-2H3/b26-23+.
What are the key properties of phenyl 5-methyliminooctadecanoate?
phenyl 5-methyliminooctadecanoate has a molecular weight of 387.61 g/mol, XLogP of 7.53, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 5-methyliminooctadecanoate is sourced from PubChem (CID 139895338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).