3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide

C13H21N3O3 — CID 131900386

IUPAC3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide
SMILESCCc1nccn1CCC(=O)N[C@H]1COC[C@@H]1OC
InChIInChI=1S/C13H21N3O3/c1-3-12-14-5-7-16(12)6-4-13(17)15-10-8-19-9-11(10)18-2/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,15,17)/t10-,11-/m0/s1
InChIKeyLXEJLBGYKBPJTF-QWRGUYRKSA-N
MW267.33 g/mol
LogP0.37
Rot. Bonds6

About 3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide

3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide (PubChem CID 131900386) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide
PubChem CID131900386
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide
SMILESCCc1nccn1CCC(=O)N[C@H]1COC[C@@H]1OC
InChIInChI=1S/C13H21N3O3/c1-3-12-14-5-7-16(12)6-4-13(17)15-10-8-19-9-11(10)18-2/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,15,17)/t10-,11-/m0/s1
InChIKeyLXEJLBGYKBPJTF-QWRGUYRKSA-N
XLogP0.37
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide (CID 131900386) is 3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide is CCc1nccn1CCC(=O)N[C@H]1COC[C@@H]1OC.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide?
The InChIKey is LXEJLBGYKBPJTF-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-12-14-5-7-16(12)6-4-13(17)15-10-8-19-9-11(10)18-2/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,15,17)/t10-,11-/m0/s1.
What are the key properties of 3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide?
3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide has a molecular weight of 267.33 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-4-methoxyoxolan-3-yl]propanamide is sourced from PubChem (CID 131900386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).