2-ethylhexyl 3-(1H-imidazol-2-yl)propanoate

C14H24N2O2 — CID 67469535

IUPAC2-ethylhexyl 3-(1H-imidazol-2-yl)propanoate
SMILESCCCCC(CC)COC(=O)CCc1ncc[nH]1
InChIInChI=1S/C14H24N2O2/c1-3-5-6-12(4-2)11-18-14(17)8-7-13-15-9-10-16-13/h9-10,12H,3-8,11H2,1-2H3,(H,15,16)
InChIKeyBXRJVPWSSRZXQL-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.10
Rot. Bonds9

About 2-ethylhexyl 3-(1H-imidazol-2-yl)propanoate

2-ethylhexyl 3-(1H-imidazol-2-yl)propanoate (PubChem CID 67469535) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-ethylhexyl 3-(1H-imidazol-2-yl)propanoate.

Molecular Properties

Compound Name2-ethylhexyl 3-(1H-imidazol-2-yl)propanoate
PubChem CID67469535
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-ethylhexyl 3-(1H-imidazol-2-yl)propanoate
SMILESCCCCC(CC)COC(=O)CCc1ncc[nH]1
InChIInChI=1S/C14H24N2O2/c1-3-5-6-12(4-2)11-18-14(17)8-7-13-15-9-10-16-13/h9-10,12H,3-8,11H2,1-2H3,(H,15,16)
InChIKeyBXRJVPWSSRZXQL-UHFFFAOYSA-N
XLogP3.10
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 3-(1H-imidazol-2-yl)propanoate?
The IUPAC name of 2-ethylhexyl 3-(1H-imidazol-2-yl)propanoate (CID 67469535) is 2-ethylhexyl 3-(1H-imidazol-2-yl)propanoate.
What is the SMILES notation for 2-ethylhexyl 3-(1H-imidazol-2-yl)propanoate?
The canonical SMILES for 2-ethylhexyl 3-(1H-imidazol-2-yl)propanoate is CCCCC(CC)COC(=O)CCc1ncc[nH]1.
What is the InChIKey of 2-ethylhexyl 3-(1H-imidazol-2-yl)propanoate?
The InChIKey is BXRJVPWSSRZXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-5-6-12(4-2)11-18-14(17)8-7-13-15-9-10-16-13/h9-10,12H,3-8,11H2,1-2H3,(H,15,16).
What are the key properties of 2-ethylhexyl 3-(1H-imidazol-2-yl)propanoate?
2-ethylhexyl 3-(1H-imidazol-2-yl)propanoate has a molecular weight of 252.36 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 3-(1H-imidazol-2-yl)propanoate is sourced from PubChem (CID 67469535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).