N-[2-(2-methoxyphenoxy)ethyl]octadecanamide

C27H47NO3 — CID 5113156

IUPACN-[2-(2-methoxyphenoxy)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCOc1ccccc1OC
InChIInChI=1S/C27H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27(29)28-23-24-31-26-21-19-18-20-25(26)30-2/h18-21H,3-17,22-24H2,1-2H3,(H,28,29)
InChIKeyGLMPERVJHKLVCS-UHFFFAOYSA-N
MW433.68 g/mol
LogP7.45
Rot. Bonds21

About N-[2-(2-methoxyphenoxy)ethyl]octadecanamide

N-[2-(2-methoxyphenoxy)ethyl]octadecanamide (PubChem CID 5113156) has the molecular formula C27H47NO3 and a molecular weight of 433.68 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]octadecanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]octadecanamide
PubChem CID5113156
Molecular FormulaC27H47NO3
Molecular Weight433.68 g/mol
Exact Mass433.36
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCOc1ccccc1OC
InChIInChI=1S/C27H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27(29)28-23-24-31-26-21-19-18-20-25(26)30-2/h18-21H,3-17,22-24H2,1-2H3,(H,28,29)
InChIKeyGLMPERVJHKLVCS-UHFFFAOYSA-N
XLogP7.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.68
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 24819647
N-[2-(2,3-dimethoxyphenoxy)ethyl]pentanamide
CID 113101902
N-[2-(2-benzylphenoxy)ethyl]octadecanamide
CID 17384423
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
N'-[2-(2-methoxyphenoxy)acetyl]tetradecanehydrazide
CID 54792289
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine
CID 54796021
N-[2-(2-methoxyphenoxy)ethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 38451172
tert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate
CID 38455025
N-[4-(2-methoxyphenoxy)but-2-ynyl]pentanamide
CID 90575522
2-(2-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 44669949

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]octadecanamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]octadecanamide (CID 5113156) is N-[2-(2-methoxyphenoxy)ethyl]octadecanamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]octadecanamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCOc1ccccc1OC.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]octadecanamide?
The InChIKey is GLMPERVJHKLVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27(29)28-23-24-31-26-21-19-18-20-25(26)30-2/h18-21H,3-17,22-24H2,1-2H3,(H,28,29).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]octadecanamide?
N-[2-(2-methoxyphenoxy)ethyl]octadecanamide has a molecular weight of 433.68 g/mol, XLogP of 7.45, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]octadecanamide is sourced from PubChem (CID 5113156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).