N-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C17H24N2O3 — CID 74711303

IUPACN-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCCCC(CC)CNC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C17H24N2O3/c1-3-5-8-13(4-2)11-18-16(20)12-19-14-9-6-7-10-15(14)22-17(19)21/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H,18,20)
InChIKeyKXFVGVOBIAXVFE-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.93
Rot. Bonds8

About N-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 74711303) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID74711303
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCCCC(CC)CNC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C17H24N2O3/c1-3-5-8-13(4-2)11-18-16(20)12-19-14-9-6-7-10-15(14)22-17(19)21/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H,18,20)
InChIKeyKXFVGVOBIAXVFE-UHFFFAOYSA-N
XLogP2.93
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46515889
2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 62676565
N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 107299698
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
N-(2-cyclohexyl-2-hydroxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 90498809
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122265592
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 71901762
N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197900
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 16606244
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 31036968

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 74711303) is N-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CCCCC(CC)CNC(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is KXFVGVOBIAXVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-5-8-13(4-2)11-18-16(20)12-19-14-9-6-7-10-15(14)22-17(19)21/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 74711303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).