ethyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]pentanoate

C14H25N3O3 — CID 83050060

IUPACethyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]pentanoate
SMILESCCCC(C(=O)OCC)n1ccnc1CNCCOC
InChIInChI=1S/C14H25N3O3/c1-4-6-12(14(18)20-5-2)17-9-7-16-13(17)11-15-8-10-19-3/h7,9,12,15H,4-6,8,10-11H2,1-3H3
InChIKeyGJJOYVFITWUBOU-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.52
Rot. Bonds10

About ethyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]pentanoate

ethyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]pentanoate (PubChem CID 83050060) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]pentanoate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]pentanoate
PubChem CID83050060
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nameethyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]pentanoate
SMILESCCCC(C(=O)OCC)n1ccnc1CNCCOC
InChIInChI=1S/C14H25N3O3/c1-4-6-12(14(18)20-5-2)17-9-7-16-13(17)11-15-8-10-19-3/h7,9,12,15H,4-6,8,10-11H2,1-3H3
InChIKeyGJJOYVFITWUBOU-UHFFFAOYSA-N
XLogP1.52
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetate
CID 66402854
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115641598
2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]pentanoic acid
CID 83049344
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402286
ethyl 2-[4-(propylaminomethyl)imidazol-1-yl]pentanoate
CID 106719239
2-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanoic acid
CID 66403064
2-(2-methoxyethoxy)-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
CID 91790838
ethyl N-[2-[(1-methylimidazol-2-yl)methylamino]ethyl]carbamate;hydrochloride
CID 115616317
3-(2-methylimidazol-1-yl)hexan-2-one
CID 139677914
2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine
CID 66403057
1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
CID 103876204
ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]propanoate
CID 79282260

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]pentanoate?
The IUPAC name of ethyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]pentanoate (CID 83050060) is ethyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]pentanoate.
What is the SMILES notation for ethyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]pentanoate?
The canonical SMILES for ethyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]pentanoate is CCCC(C(=O)OCC)n1ccnc1CNCCOC.
What is the InChIKey of ethyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]pentanoate?
The InChIKey is GJJOYVFITWUBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-4-6-12(14(18)20-5-2)17-9-7-16-13(17)11-15-8-10-19-3/h7,9,12,15H,4-6,8,10-11H2,1-3H3.
What are the key properties of ethyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]pentanoate?
ethyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]pentanoate has a molecular weight of 283.37 g/mol, XLogP of 1.52, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-methoxyethylamino)methyl]imidazol-1-yl]pentanoate is sourced from PubChem (CID 83050060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).