N-[(3-methoxyphenyl)methyl]hexadecanamide

C24H41NO2 — CID 71765531

IUPACN-[(3-methoxyphenyl)methyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCc1cccc(OC)c1
InChIInChI=1S/C24H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(26)25-21-22-17-16-18-23(20-22)27-2/h16-18,20H,3-15,19,21H2,1-2H3,(H,25,26)
InChIKeyFIQGQTITXPTKIY-UHFFFAOYSA-N
MW375.60 g/mol
LogP6.79
Rot. Bonds17

About N-[(3-methoxyphenyl)methyl]hexadecanamide

N-[(3-methoxyphenyl)methyl]hexadecanamide (PubChem CID 71765531) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]hexadecanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]hexadecanamide
PubChem CID71765531
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC NameN-[(3-methoxyphenyl)methyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCc1cccc(OC)c1
InChIInChI=1S/C24H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(26)25-21-22-17-16-18-23(20-22)27-2/h16-18,20H,3-15,19,21H2,1-2H3,(H,25,26)
InChIKeyFIQGQTITXPTKIY-UHFFFAOYSA-N
XLogP6.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 56.79
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 N-[(3-methoxyphenyl)methyl]hexadecanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]hexadecanamide (CID 71765531) is N-[(3-methoxyphenyl)methyl]hexadecanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]hexadecanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCc1cccc(OC)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]hexadecanamide?
The InChIKey is FIQGQTITXPTKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(26)25-21-22-17-16-18-23(20-22)27-2/h16-18,20H,3-15,19,21H2,1-2H3,(H,25,26).
What are the key properties of N-[(3-methoxyphenyl)methyl]hexadecanamide?
N-[(3-methoxyphenyl)methyl]hexadecanamide has a molecular weight of 375.60 g/mol, XLogP of 6.79, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]hexadecanamide is sourced from PubChem (CID 71765531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).