(2-cyclobutyloxy-2-oxoethyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate

C18H20N2O4 — CID 118246213

IUPAC(2-cyclobutyloxy-2-oxoethyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
SMILESC[C@H](c1ccccc1)n1cncc1C(=O)OCC(=O)OC1CCC1
InChIInChI=1S/C18H20N2O4/c1-13(14-6-3-2-4-7-14)20-12-19-10-16(20)18(22)23-11-17(21)24-15-8-5-9-15/h2-4,6-7,10,12-13,15H,5,8-9,11H2,1H3/t13-/m1/s1
InChIKeyIAODJKRZXAOURS-CYBMUJFWSA-N
MW328.37 g/mol
LogP2.74
Rot. Bonds6

About (2-cyclobutyloxy-2-oxoethyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate

(2-cyclobutyloxy-2-oxoethyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate (PubChem CID 118246213) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2-cyclobutyloxy-2-oxoethyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Name(2-cyclobutyloxy-2-oxoethyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
PubChem CID118246213
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(2-cyclobutyloxy-2-oxoethyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
SMILESC[C@H](c1ccccc1)n1cncc1C(=O)OCC(=O)OC1CCC1
InChIInChI=1S/C18H20N2O4/c1-13(14-6-3-2-4-7-14)20-12-19-10-16(20)18(22)23-11-17(21)24-15-8-5-9-15/h2-4,6-7,10,12-13,15H,5,8-9,11H2,1H3/t13-/m1/s1
InChIKeyIAODJKRZXAOURS-CYBMUJFWSA-N
XLogP2.74
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-cyclobutyloxy-2-oxoethyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
The IUPAC name of (2-cyclobutyloxy-2-oxoethyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate (CID 118246213) is (2-cyclobutyloxy-2-oxoethyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate.
What is the SMILES notation for (2-cyclobutyloxy-2-oxoethyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
The canonical SMILES for (2-cyclobutyloxy-2-oxoethyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate is C[C@H](c1ccccc1)n1cncc1C(=O)OCC(=O)OC1CCC1.
What is the InChIKey of (2-cyclobutyloxy-2-oxoethyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
The InChIKey is IAODJKRZXAOURS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13(14-6-3-2-4-7-14)20-12-19-10-16(20)18(22)23-11-17(21)24-15-8-5-9-15/h2-4,6-7,10,12-13,15H,5,8-9,11H2,1H3/t13-/m1/s1.
What are the key properties of (2-cyclobutyloxy-2-oxoethyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
(2-cyclobutyloxy-2-oxoethyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutyloxy-2-oxoethyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate is sourced from PubChem (CID 118246213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).