14-(2,5-dimethoxyanilino)tetradecan-1-ol

C22H39NO3 — CID 11846043

IUPAC14-(2,5-dimethoxyanilino)tetradecan-1-ol
SMILESCOc1ccc(OC)c(NCCCCCCCCCCCCCCO)c1
InChIInChI=1S/C22H39NO3/c1-25-20-15-16-22(26-2)21(19-20)23-17-13-11-9-7-5-3-4-6-8-10-12-14-18-24/h15-16,19,23-24H,3-14,17-18H2,1-2H3
InChIKeyGTJQWFXCOHJFLX-UHFFFAOYSA-N
MW365.56 g/mol
LogP5.79
Rot. Bonds17

About 14-(2,5-dimethoxyanilino)tetradecan-1-ol

14-(2,5-dimethoxyanilino)tetradecan-1-ol (PubChem CID 11846043) has the molecular formula C22H39NO3 and a molecular weight of 365.56 g/mol. Its IUPAC name is 14-(2,5-dimethoxyanilino)tetradecan-1-ol.

Molecular Properties

Compound Name14-(2,5-dimethoxyanilino)tetradecan-1-ol
PubChem CID11846043
Molecular FormulaC22H39NO3
Molecular Weight365.56 g/mol
Exact Mass365.29
IUPAC Name14-(2,5-dimethoxyanilino)tetradecan-1-ol
SMILESCOc1ccc(OC)c(NCCCCCCCCCCCCCCO)c1
InChIInChI=1S/C22H39NO3/c1-25-20-15-16-22(26-2)21(19-20)23-17-13-11-9-7-5-3-4-6-8-10-12-14-18-24/h15-16,19,23-24H,3-14,17-18H2,1-2H3
InChIKeyGTJQWFXCOHJFLX-UHFFFAOYSA-N
XLogP5.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 14-(2,5-dimethoxyanilino)tetradecan-1-ol?
The IUPAC name of 14-(2,5-dimethoxyanilino)tetradecan-1-ol (CID 11846043) is 14-(2,5-dimethoxyanilino)tetradecan-1-ol.
What is the SMILES notation for 14-(2,5-dimethoxyanilino)tetradecan-1-ol?
The canonical SMILES for 14-(2,5-dimethoxyanilino)tetradecan-1-ol is COc1ccc(OC)c(NCCCCCCCCCCCCCCO)c1.
What is the InChIKey of 14-(2,5-dimethoxyanilino)tetradecan-1-ol?
The InChIKey is GTJQWFXCOHJFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO3/c1-25-20-15-16-22(26-2)21(19-20)23-17-13-11-9-7-5-3-4-6-8-10-12-14-18-24/h15-16,19,23-24H,3-14,17-18H2,1-2H3.
What are the key properties of 14-(2,5-dimethoxyanilino)tetradecan-1-ol?
14-(2,5-dimethoxyanilino)tetradecan-1-ol has a molecular weight of 365.56 g/mol, XLogP of 5.79, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(2,5-dimethoxyanilino)tetradecan-1-ol is sourced from PubChem (CID 11846043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).