2-methyl-N-(2,4,6-trimethoxyphenyl)hexadecanamide

C26H45NO4 — CID 14276071

IUPAC2-methyl-N-(2,4,6-trimethoxyphenyl)hexadecanamide
SMILESCCCCCCCCCCCCCCC(C)C(=O)Nc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C26H45NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2)26(28)27-25-23(30-4)19-22(29-3)20-24(25)31-5/h19-21H,6-18H2,1-5H3,(H,27,28)
InChIKeyLPQCXGFQNAHQFU-UHFFFAOYSA-N
MW435.65 g/mol
LogP7.38
Rot. Bonds18

About 2-methyl-N-(2,4,6-trimethoxyphenyl)hexadecanamide

2-methyl-N-(2,4,6-trimethoxyphenyl)hexadecanamide (PubChem CID 14276071) has the molecular formula C26H45NO4 and a molecular weight of 435.65 g/mol. Its IUPAC name is 2-methyl-N-(2,4,6-trimethoxyphenyl)hexadecanamide.

Molecular Properties

Compound Name2-methyl-N-(2,4,6-trimethoxyphenyl)hexadecanamide
PubChem CID14276071
Molecular FormulaC26H45NO4
Molecular Weight435.65 g/mol
Exact Mass435.33
IUPAC Name2-methyl-N-(2,4,6-trimethoxyphenyl)hexadecanamide
SMILESCCCCCCCCCCCCCCC(C)C(=O)Nc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C26H45NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2)26(28)27-25-23(30-4)19-22(29-3)20-24(25)31-5/h19-21H,6-18H2,1-5H3,(H,27,28)
InChIKeyLPQCXGFQNAHQFU-UHFFFAOYSA-N
XLogP7.38
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.65
LogP ≤ 57.38
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,4,6-trimethoxyphenyl)hexadecanamide?
The IUPAC name of 2-methyl-N-(2,4,6-trimethoxyphenyl)hexadecanamide (CID 14276071) is 2-methyl-N-(2,4,6-trimethoxyphenyl)hexadecanamide.
What is the SMILES notation for 2-methyl-N-(2,4,6-trimethoxyphenyl)hexadecanamide?
The canonical SMILES for 2-methyl-N-(2,4,6-trimethoxyphenyl)hexadecanamide is CCCCCCCCCCCCCCC(C)C(=O)Nc1c(OC)cc(OC)cc1OC.
What is the InChIKey of 2-methyl-N-(2,4,6-trimethoxyphenyl)hexadecanamide?
The InChIKey is LPQCXGFQNAHQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2)26(28)27-25-23(30-4)19-22(29-3)20-24(25)31-5/h19-21H,6-18H2,1-5H3,(H,27,28).
What are the key properties of 2-methyl-N-(2,4,6-trimethoxyphenyl)hexadecanamide?
2-methyl-N-(2,4,6-trimethoxyphenyl)hexadecanamide has a molecular weight of 435.65 g/mol, XLogP of 7.38, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,4,6-trimethoxyphenyl)hexadecanamide is sourced from PubChem (CID 14276071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).