2-(2,5-dimethylphenoxy)-N-heptylacetamide

C17H27NO2 — CID 3468528

IUPAC2-(2,5-dimethylphenoxy)-N-heptylacetamide
SMILESCCCCCCCNC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C17H27NO2/c1-4-5-6-7-8-11-18-17(19)13-20-16-12-14(2)9-10-15(16)3/h9-10,12H,4-8,11,13H2,1-3H3,(H,18,19)
InChIKeyOCYVBHZXBHTVOA-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.77
Rot. Bonds9

About 2-(2,5-dimethylphenoxy)-N-heptylacetamide

2-(2,5-dimethylphenoxy)-N-heptylacetamide (PubChem CID 3468528) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-heptylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-heptylacetamide
PubChem CID3468528
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(2,5-dimethylphenoxy)-N-heptylacetamide
SMILESCCCCCCCNC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C17H27NO2/c1-4-5-6-7-8-11-18-17(19)13-20-16-12-14(2)9-10-15(16)3/h9-10,12H,4-8,11,13H2,1-3H3,(H,18,19)
InChIKeyOCYVBHZXBHTVOA-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.77
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

2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249
N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 163329160
2-(4-bromo-2,5-dimethylphenoxy)-N-heptylacetamide
CID 3901238
2-(5-amino-2-methylphenoxy)-N-butylacetamide
CID 54956173
2-(2,5-dimethylphenoxy)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide
CID 16993008
2-(2,5-dimethylphenoxy)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide
CID 16993007
2-(2,5-dimethylphenoxy)-N-(2-ethylhexyl)acetamide
CID 19167363
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
N-(4-butylphenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 19167555

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-heptylacetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-heptylacetamide (CID 3468528) is 2-(2,5-dimethylphenoxy)-N-heptylacetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-heptylacetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-heptylacetamide is CCCCCCCNC(=O)COc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-heptylacetamide?
The InChIKey is OCYVBHZXBHTVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-5-6-7-8-11-18-17(19)13-20-16-12-14(2)9-10-15(16)3/h9-10,12H,4-8,11,13H2,1-3H3,(H,18,19).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-heptylacetamide?
2-(2,5-dimethylphenoxy)-N-heptylacetamide has a molecular weight of 277.41 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-heptylacetamide is sourced from PubChem (CID 3468528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).