N-hexadecyl-2-(3-methylphenoxy)acetamide

C25H43NO2 — CID 3324097

IUPACN-hexadecyl-2-(3-methylphenoxy)acetamide
SMILESCCCCCCCCCCCCCCCCNC(=O)COc1cccc(C)c1
InChIInChI=1S/C25H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-25(27)22-28-24-19-17-18-23(2)21-24/h17-19,21H,3-16,20,22H2,1-2H3,(H,26,27)
InChIKeyLJMXJGNQKXFORM-UHFFFAOYSA-N
MW389.62 g/mol
LogP6.97
Rot. Bonds18

About N-hexadecyl-2-(3-methylphenoxy)acetamide

N-hexadecyl-2-(3-methylphenoxy)acetamide (PubChem CID 3324097) has the molecular formula C25H43NO2 and a molecular weight of 389.62 g/mol. Its IUPAC name is N-hexadecyl-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-hexadecyl-2-(3-methylphenoxy)acetamide
PubChem CID3324097
Molecular FormulaC25H43NO2
Molecular Weight389.62 g/mol
Exact Mass389.33
IUPAC NameN-hexadecyl-2-(3-methylphenoxy)acetamide
SMILESCCCCCCCCCCCCCCCCNC(=O)COc1cccc(C)c1
InChIInChI=1S/C25H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-25(27)22-28-24-19-17-18-23(2)21-24/h17-19,21H,3-16,20,22H2,1-2H3,(H,26,27)
InChIKeyLJMXJGNQKXFORM-UHFFFAOYSA-N
XLogP6.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.62
LogP ≤ 56.97
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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Related Compounds

N-(heptylcarbamothioyl)-2-(3-methylphenoxy)acetamide
CID 4634965
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
N-butyl-2-(3-chlorophenoxy)acetamide
CID 19168596
N-butyl-2-(3-ethoxyphenoxy)acetamide
CID 112977682
N-[3-(3-methoxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
CID 95172598
N-[3-(3-hydroxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
CID 110667280
N-(3-hexoxyphenyl)-2-(3-methylphenoxy)acetamide
CID 17094750
2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528
N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide
CID 134029943

Frequently Asked Questions

What is the IUPAC name of N-hexadecyl-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-hexadecyl-2-(3-methylphenoxy)acetamide (CID 3324097) is N-hexadecyl-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-hexadecyl-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-hexadecyl-2-(3-methylphenoxy)acetamide is CCCCCCCCCCCCCCCCNC(=O)COc1cccc(C)c1.
What is the InChIKey of N-hexadecyl-2-(3-methylphenoxy)acetamide?
The InChIKey is LJMXJGNQKXFORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-26-25(27)22-28-24-19-17-18-23(2)21-24/h17-19,21H,3-16,20,22H2,1-2H3,(H,26,27).
What are the key properties of N-hexadecyl-2-(3-methylphenoxy)acetamide?
N-hexadecyl-2-(3-methylphenoxy)acetamide has a molecular weight of 389.62 g/mol, XLogP of 6.97, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecyl-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 3324097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).