2-methoxy-N-octadecylbenzamide

C26H45NO2 — CID 23297443

IUPAC2-methoxy-N-octadecylbenzamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1OC
InChIInChI=1S/C26H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-27-26(28)24-21-18-19-22-25(24)29-2/h18-19,21-22H,3-17,20,23H2,1-2H3,(H,27,28)
InChIKeyZJNLHQZURJCLKB-UHFFFAOYSA-N
MW403.65 g/mol
LogP7.69
Rot. Bonds19

About 2-methoxy-N-octadecylbenzamide

2-methoxy-N-octadecylbenzamide (PubChem CID 23297443) has the molecular formula C26H45NO2 and a molecular weight of 403.65 g/mol. Its IUPAC name is 2-methoxy-N-octadecylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-octadecylbenzamide
PubChem CID23297443
Molecular FormulaC26H45NO2
Molecular Weight403.65 g/mol
Exact Mass403.35
IUPAC Name2-methoxy-N-octadecylbenzamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1OC
InChIInChI=1S/C26H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-27-26(28)24-21-18-19-22-25(24)29-2/h18-19,21-22H,3-17,20,23H2,1-2H3,(H,27,28)
InChIKeyZJNLHQZURJCLKB-UHFFFAOYSA-N
XLogP7.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.65
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methoxy-N-octadecylbenzamide?
The IUPAC name of 2-methoxy-N-octadecylbenzamide (CID 23297443) is 2-methoxy-N-octadecylbenzamide.
What is the SMILES notation for 2-methoxy-N-octadecylbenzamide?
The canonical SMILES for 2-methoxy-N-octadecylbenzamide is CCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1OC.
What is the InChIKey of 2-methoxy-N-octadecylbenzamide?
The InChIKey is ZJNLHQZURJCLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-27-26(28)24-21-18-19-22-25(24)29-2/h18-19,21-22H,3-17,20,23H2,1-2H3,(H,27,28).
What are the key properties of 2-methoxy-N-octadecylbenzamide?
2-methoxy-N-octadecylbenzamide has a molecular weight of 403.65 g/mol, XLogP of 7.69, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-octadecylbenzamide is sourced from PubChem (CID 23297443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).