2-ethyl-N-(2,4,6-trimethoxyphenyl)tetradecanamide

C25H43NO4 — CID 14276078

IUPAC2-ethyl-N-(2,4,6-trimethoxyphenyl)tetradecanamide
SMILESCCCCCCCCCCCCC(CC)C(=O)Nc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C25H43NO4/c1-6-8-9-10-11-12-13-14-15-16-17-20(7-2)25(27)26-24-22(29-4)18-21(28-3)19-23(24)30-5/h18-20H,6-17H2,1-5H3,(H,26,27)
InChIKeyCQGWDLIWBJTOAO-UHFFFAOYSA-N
MW421.62 g/mol
LogP6.99
Rot. Bonds17

About 2-ethyl-N-(2,4,6-trimethoxyphenyl)tetradecanamide

2-ethyl-N-(2,4,6-trimethoxyphenyl)tetradecanamide (PubChem CID 14276078) has the molecular formula C25H43NO4 and a molecular weight of 421.62 g/mol. Its IUPAC name is 2-ethyl-N-(2,4,6-trimethoxyphenyl)tetradecanamide.

Molecular Properties

Compound Name2-ethyl-N-(2,4,6-trimethoxyphenyl)tetradecanamide
PubChem CID14276078
Molecular FormulaC25H43NO4
Molecular Weight421.62 g/mol
Exact Mass421.32
IUPAC Name2-ethyl-N-(2,4,6-trimethoxyphenyl)tetradecanamide
SMILESCCCCCCCCCCCCC(CC)C(=O)Nc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C25H43NO4/c1-6-8-9-10-11-12-13-14-15-16-17-20(7-2)25(27)26-24-22(29-4)18-21(28-3)19-23(24)30-5/h18-20H,6-17H2,1-5H3,(H,26,27)
InChIKeyCQGWDLIWBJTOAO-UHFFFAOYSA-N
XLogP6.99
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.62
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 122327
CID 122327
CID 710605
CID 710605
CID 85564
CID 85564
CID 2321450
CID 2321450
CID 89972
CID 89972
CID 4601418
CID 4601418
CID 10048615
CID 10048615
CID 10386701
CID 10386701
CID 2859221
CID 2859221
CID 42618030
CID 42618030
CID 306644
CID 306644
CID 699704
CID 699704

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2,4,6-trimethoxyphenyl)tetradecanamide?
The IUPAC name of 2-ethyl-N-(2,4,6-trimethoxyphenyl)tetradecanamide (CID 14276078) is 2-ethyl-N-(2,4,6-trimethoxyphenyl)tetradecanamide.
What is the SMILES notation for 2-ethyl-N-(2,4,6-trimethoxyphenyl)tetradecanamide?
The canonical SMILES for 2-ethyl-N-(2,4,6-trimethoxyphenyl)tetradecanamide is CCCCCCCCCCCCC(CC)C(=O)Nc1c(OC)cc(OC)cc1OC.
What is the InChIKey of 2-ethyl-N-(2,4,6-trimethoxyphenyl)tetradecanamide?
The InChIKey is CQGWDLIWBJTOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO4/c1-6-8-9-10-11-12-13-14-15-16-17-20(7-2)25(27)26-24-22(29-4)18-21(28-3)19-23(24)30-5/h18-20H,6-17H2,1-5H3,(H,26,27).
What are the key properties of 2-ethyl-N-(2,4,6-trimethoxyphenyl)tetradecanamide?
2-ethyl-N-(2,4,6-trimethoxyphenyl)tetradecanamide has a molecular weight of 421.62 g/mol, XLogP of 6.99, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2,4,6-trimethoxyphenyl)tetradecanamide is sourced from PubChem (CID 14276078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).