3-(2-ethylimidazol-1-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]propanamide

C15H26N4O2 — CID 91763224

IUPAC3-(2-ethylimidazol-1-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]propanamide
SMILESCCc1nccn1CCC(=O)N[C@H]1CN(CC)C[C@@H]1OC
InChIInChI=1S/C15H26N4O2/c1-4-14-16-7-9-19(14)8-6-15(20)17-12-10-18(5-2)11-13(12)21-3/h7,9,12-13H,4-6,8,10-11H2,1-3H3,(H,17,20)/t12-,13-/m0/s1
InChIKeyGTKOFPIQIOOBQJ-STQMWFEESA-N
MW294.40 g/mol
LogP0.67
Rot. Bonds7

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

3-(2-ethylimidazol-1-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]propanamide (PubChem CID 91763224) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]propanamide
PubChem CID91763224
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3-(2-ethylimidazol-1-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]propanamide
SMILESCCc1nccn1CCC(=O)N[C@H]1CN(CC)C[C@@H]1OC
InChIInChI=1S/C15H26N4O2/c1-4-14-16-7-9-19(14)8-6-15(20)17-12-10-18(5-2)11-13(12)21-3/h7,9,12-13H,4-6,8,10-11H2,1-3H3,(H,17,20)/t12-,13-/m0/s1
InChIKeyGTKOFPIQIOOBQJ-STQMWFEESA-N
XLogP0.67
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344
N-[(3R,4S)-4-methoxy-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 167966193
3-(2-ethylimidazol-1-yl)-N-[(3S,4R)-3-(pyridin-2-ylmethoxy)oxan-4-yl]propanamide
CID 91766286
N-[(7S,8R)-8-(3,4-dimethoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 46955906
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]acetamide
CID 122560707
N-(2,3-dihydro-1H-inden-1-yl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131896789
3-(2-ethylimidazol-1-yl)-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide
CID 56906789
(2R)-2-[3-(2-ethylimidazol-1-yl)propanoylamino]butanoic acid
CID 126445443
3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 125176327
3-(2-ethylimidazol-1-yl)-N-[(1S,3R)-3-[[2-(tetrazol-1-yl)acetyl]amino]cyclohexyl]propanamide;formic acid
CID 154922434
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-3-(2-ethylimidazol-1-yl)propanamide;formic acid
CID 154912721
methyl 2-(ethylamino)-4-(2-ethylimidazol-1-yl)butanoate
CID 55143375

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]propanamide (CID 91763224) is 3-(2-ethylimidazol-1-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]propanamide is CCc1nccn1CCC(=O)N[C@H]1CN(CC)C[C@@H]1OC.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]propanamide?
The InChIKey is GTKOFPIQIOOBQJ-STQMWFEESA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-14-16-7-9-19(14)8-6-15(20)17-12-10-18(5-2)11-13(12)21-3/h7,9,12-13H,4-6,8,10-11H2,1-3H3,(H,17,20)/t12-,13-/m0/s1.
What are the key properties of 3-(2-ethylimidazol-1-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]propanamide?
3-(2-ethylimidazol-1-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]propanamide has a molecular weight of 294.40 g/mol, XLogP of 0.67, 7 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,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]propanamide is sourced from PubChem (CID 91763224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).