methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate

C14H25N3O3 — CID 103546153

IUPACmethyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate
SMILESCCCCOCCCn1c(CC)nc(C(=O)OC)c1N
InChIInChI=1S/C14H25N3O3/c1-4-6-9-20-10-7-8-17-11(5-2)16-12(13(17)15)14(18)19-3/h4-10,15H2,1-3H3
InChIKeyHOWPTMWKGBBPPB-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.02
Rot. Bonds9

About methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate

methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate (PubChem CID 103546153) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate
PubChem CID103546153
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Namemethyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate
SMILESCCCCOCCCn1c(CC)nc(C(=O)OC)c1N
InChIInChI=1S/C14H25N3O3/c1-4-6-9-20-10-7-8-17-11(5-2)16-12(13(17)15)14(18)19-3/h4-10,15H2,1-3H3
InChIKeyHOWPTMWKGBBPPB-UHFFFAOYSA-N
XLogP2.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.02
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 5-amino-2-ethyl-1-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxylate
CID 103546091
ethyl 5-amino-2-ethyl-1-(3-propoxypropyl)imidazole-4-carboxylate
CID 82946637
methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate
CID 103544856
methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate
CID 103546145
methyl 5-amino-2-ethyl-1-(3-methylsulfanylbutyl)imidazole-4-carboxylate
CID 103546188
methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 103544613
methyl 5-amino-2-ethyl-1-[(4-fluorophenyl)methyl]imidazole-4-carboxylate
CID 103544322
methyl 5-amino-2-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]imidazole-4-carboxylate
CID 103545998
methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate
CID 103545625
methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate
CID 103544811
methyl 5-amino-1-[2-(cyclohexen-1-yl)ethyl]-2-ethylimidazole-4-carboxylate
CID 107853736
methyl 5-amino-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)imidazole-4-carboxylate
CID 106294832

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate (CID 103546153) is methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate is CCCCOCCCn1c(CC)nc(C(=O)OC)c1N.
What is the InChIKey of methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate?
The InChIKey is HOWPTMWKGBBPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-4-6-9-20-10-7-8-17-11(5-2)16-12(13(17)15)14(18)19-3/h4-10,15H2,1-3H3.
What are the key properties of methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate?
methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate is sourced from PubChem (CID 103546153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).