2-(3,5-dimethoxyphenoxy)-N-pentylacetamide

C15H23NO4 — CID 112978560

IUPAC2-(3,5-dimethoxyphenoxy)-N-pentylacetamide
SMILESCCCCCNC(=O)COc1cc(OC)cc(OC)c1
InChIInChI=1S/C15H23NO4/c1-4-5-6-7-16-15(17)11-20-14-9-12(18-2)8-13(10-14)19-3/h8-10H,4-7,11H2,1-3H3,(H,16,17)
InChIKeyPMQKXDGZKBHILA-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.39
Rot. Bonds9

About 2-(3,5-dimethoxyphenoxy)-N-pentylacetamide

2-(3,5-dimethoxyphenoxy)-N-pentylacetamide (PubChem CID 112978560) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenoxy)-N-pentylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenoxy)-N-pentylacetamide
PubChem CID112978560
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-(3,5-dimethoxyphenoxy)-N-pentylacetamide
SMILESCCCCCNC(=O)COc1cc(OC)cc(OC)c1
InChIInChI=1S/C15H23NO4/c1-4-5-6-7-16-15(17)11-20-14-9-12(18-2)8-13(10-14)19-3/h8-10H,4-7,11H2,1-3H3,(H,16,17)
InChIKeyPMQKXDGZKBHILA-UHFFFAOYSA-N
XLogP2.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.39
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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Related Compounds

2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
2-(4-chloro-3,5-dimethylphenoxy)-N-hexadecylacetamide
CID 3539927
N-butyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652513
3-[[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide
CID 4991796
N-butyl-2-(3-ethoxyphenoxy)acetamide
CID 112977682
2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
2-(3-chlorophenoxy)-N-hexylacetamide
CID 19168602
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
CID 4846679
4-(3-methoxyphenoxy)-N-pentylbutanamide
CID 110486945
N-butyl-2-(3,5-dimethoxyanilino)acetamide
CID 32913276

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenoxy)-N-pentylacetamide?
The IUPAC name of 2-(3,5-dimethoxyphenoxy)-N-pentylacetamide (CID 112978560) is 2-(3,5-dimethoxyphenoxy)-N-pentylacetamide.
What is the SMILES notation for 2-(3,5-dimethoxyphenoxy)-N-pentylacetamide?
The canonical SMILES for 2-(3,5-dimethoxyphenoxy)-N-pentylacetamide is CCCCCNC(=O)COc1cc(OC)cc(OC)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenoxy)-N-pentylacetamide?
The InChIKey is PMQKXDGZKBHILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-5-6-7-16-15(17)11-20-14-9-12(18-2)8-13(10-14)19-3/h8-10H,4-7,11H2,1-3H3,(H,16,17).
What are the key properties of 2-(3,5-dimethoxyphenoxy)-N-pentylacetamide?
2-(3,5-dimethoxyphenoxy)-N-pentylacetamide has a molecular weight of 281.35 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenoxy)-N-pentylacetamide is sourced from PubChem (CID 112978560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).