2-(2,5-dimethylphenoxy)-N-(2-ethylhexyl)acetamide

C18H29NO2 — CID 19167363

IUPAC2-(2,5-dimethylphenoxy)-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C18H29NO2/c1-5-7-8-16(6-2)12-19-18(20)13-21-17-11-14(3)9-10-15(17)4/h9-11,16H,5-8,12-13H2,1-4H3,(H,19,20)
InChIKeyYJUMHBMVBAZRCJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.01
Rot. Bonds9

About 2-(2,5-dimethylphenoxy)-N-(2-ethylhexyl)acetamide

2-(2,5-dimethylphenoxy)-N-(2-ethylhexyl)acetamide (PubChem CID 19167363) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-(2-ethylhexyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-(2-ethylhexyl)acetamide
PubChem CID19167363
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-(2,5-dimethylphenoxy)-N-(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CNC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C18H29NO2/c1-5-7-8-16(6-2)12-19-18(20)13-21-17-11-14(3)9-10-15(17)4/h9-11,16H,5-8,12-13H2,1-4H3,(H,19,20)
InChIKeyYJUMHBMVBAZRCJ-UHFFFAOYSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528
2-(2,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391088
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 66168097
N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 119497986
N-[(2S)-2-ethylhexyl]-2-(4-fluorophenoxy)acetamide
CID 97038167
N-(2-ethylhexyl)-2-naphthalen-2-yloxyacetamide
CID 5172128
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
N-(4-butylphenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 19167555
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-butylacetamide
CID 63326072
N-[(2R)-2-ethylhexyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9078860
N-[(2R)-2-ethylhexyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882786

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-(2-ethylhexyl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-(2-ethylhexyl)acetamide (CID 19167363) is 2-(2,5-dimethylphenoxy)-N-(2-ethylhexyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-(2-ethylhexyl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-(2-ethylhexyl)acetamide is CCCCC(CC)CNC(=O)COc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-(2-ethylhexyl)acetamide?
The InChIKey is YJUMHBMVBAZRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-7-8-16(6-2)12-19-18(20)13-21-17-11-14(3)9-10-15(17)4/h9-11,16H,5-8,12-13H2,1-4H3,(H,19,20).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-(2-ethylhexyl)acetamide?
2-(2,5-dimethylphenoxy)-N-(2-ethylhexyl)acetamide has a molecular weight of 291.44 g/mol, XLogP of 4.01, 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-(2-ethylhexyl)acetamide is sourced from PubChem (CID 19167363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).