ethyl 3-morpholin-4-yl-3-(3-propylimidazol-4-yl)propanoate

C15H25N3O3 — CID 66131257

IUPACethyl 3-morpholin-4-yl-3-(3-propylimidazol-4-yl)propanoate
SMILESCCCn1cncc1C(CC(=O)OCC)N1CCOCC1
InChIInChI=1S/C15H25N3O3/c1-3-5-18-12-16-11-14(18)13(10-15(19)21-4-2)17-6-8-20-9-7-17/h11-13H,3-10H2,1-2H3
InChIKeyMSTFLZSPJCYSEW-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.62
Rot. Bonds7

About ethyl 3-morpholin-4-yl-3-(3-propylimidazol-4-yl)propanoate

ethyl 3-morpholin-4-yl-3-(3-propylimidazol-4-yl)propanoate (PubChem CID 66131257) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl 3-morpholin-4-yl-3-(3-propylimidazol-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-morpholin-4-yl-3-(3-propylimidazol-4-yl)propanoate
PubChem CID66131257
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nameethyl 3-morpholin-4-yl-3-(3-propylimidazol-4-yl)propanoate
SMILESCCCn1cncc1C(CC(=O)OCC)N1CCOCC1
InChIInChI=1S/C15H25N3O3/c1-3-5-18-12-16-11-14(18)13(10-15(19)21-4-2)17-6-8-20-9-7-17/h11-13H,3-10H2,1-2H3
InChIKeyMSTFLZSPJCYSEW-UHFFFAOYSA-N
XLogP1.62
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-ethylimidazol-4-yl)-3-morpholin-4-ylpropanoic acid
CID 66133322
ethyl 3-(azepan-1-yl)-3-(3-methylimidazol-4-yl)propanoate
CID 66118425
ethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate
CID 83095163
ethyl 3-(2-methoxyphenyl)-3-morpholin-4-ylpropanoate
CID 64528220
2-(3-propylimidazol-4-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 66130807
3-[5-[(1S)-1-aminoethyl]imidazol-1-yl]-1-morpholin-4-ylpropan-1-one
CID 104943623
ethyl 3-(4-bromo-3-methylphenyl)-3-morpholin-4-ylpropanoate
CID 66481310
2-(4,4-dimethylazepan-1-yl)-2-(3-propylimidazol-4-yl)ethanamine
CID 66131413
ethyl 3-(3-bromo-4-fluorophenyl)-3-morpholin-4-ylpropanoate
CID 64528413
4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid
CID 3312061
2-(3-methylimidazol-4-yl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 66117100
ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate
CID 124585393

Frequently Asked Questions

What is the IUPAC name of ethyl 3-morpholin-4-yl-3-(3-propylimidazol-4-yl)propanoate?
The IUPAC name of ethyl 3-morpholin-4-yl-3-(3-propylimidazol-4-yl)propanoate (CID 66131257) is ethyl 3-morpholin-4-yl-3-(3-propylimidazol-4-yl)propanoate.
What is the SMILES notation for ethyl 3-morpholin-4-yl-3-(3-propylimidazol-4-yl)propanoate?
The canonical SMILES for ethyl 3-morpholin-4-yl-3-(3-propylimidazol-4-yl)propanoate is CCCn1cncc1C(CC(=O)OCC)N1CCOCC1.
What is the InChIKey of ethyl 3-morpholin-4-yl-3-(3-propylimidazol-4-yl)propanoate?
The InChIKey is MSTFLZSPJCYSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-5-18-12-16-11-14(18)13(10-15(19)21-4-2)17-6-8-20-9-7-17/h11-13H,3-10H2,1-2H3.
What are the key properties of ethyl 3-morpholin-4-yl-3-(3-propylimidazol-4-yl)propanoate?
ethyl 3-morpholin-4-yl-3-(3-propylimidazol-4-yl)propanoate has a molecular weight of 295.38 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-morpholin-4-yl-3-(3-propylimidazol-4-yl)propanoate is sourced from PubChem (CID 66131257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).