methyl 5-[(3-cyclohexyloxypropylamino)methyl]furan-3-carboxylate

C16H25NO4 — CID 104585865

IUPACmethyl 5-[(3-cyclohexyloxypropylamino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCCCOC2CCCCC2)c1
InChIInChI=1S/C16H25NO4/c1-19-16(18)13-10-15(21-12-13)11-17-8-5-9-20-14-6-3-2-4-7-14/h10,12,14,17H,2-9,11H2,1H3
InChIKeyZLORWRVVSHURJP-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.90
Rot. Bonds8

About methyl 5-[(3-cyclohexyloxypropylamino)methyl]furan-3-carboxylate

methyl 5-[(3-cyclohexyloxypropylamino)methyl]furan-3-carboxylate (PubChem CID 104585865) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 5-[(3-cyclohexyloxypropylamino)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3-cyclohexyloxypropylamino)methyl]furan-3-carboxylate
PubChem CID104585865
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Namemethyl 5-[(3-cyclohexyloxypropylamino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCCCOC2CCCCC2)c1
InChIInChI=1S/C16H25NO4/c1-19-16(18)13-10-15(21-12-13)11-17-8-5-9-20-14-6-3-2-4-7-14/h10,12,14,17H,2-9,11H2,1H3
InChIKeyZLORWRVVSHURJP-UHFFFAOYSA-N
XLogP2.90
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[(2-cyclopropylethylamino)methyl]furan-3-carboxylate
CID 104586453
methyl 5-[(2-butoxyethylamino)methyl]furan-3-carboxylate
CID 104586125
methyl 5-[[3-(furan-2-ylmethoxy)propylamino]methyl]furan-3-carboxylate
CID 104585866
methyl 5-[[(2-hydroxycyclohexyl)methylamino]methyl]furan-3-carboxylate
CID 104586370
methyl 5-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylate
CID 104586101
methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate
CID 104585806
methyl 5-[[2-(3-methylcyclohexyl)ethylamino]methyl]furan-3-carboxylate
CID 104586293
5-[(3-cyclohexyloxypropylamino)methyl]furan-2-carboxylic acid
CID 63317129
methyl 5-[(2-cyanoethylamino)methyl]furan-3-carboxylate
CID 104608135
methyl 5-[[[3-(dimethylamino)-3-oxopropyl]amino]methyl]furan-3-carboxylate
CID 104586143
methyl 5-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]furan-3-carboxylate
CID 104586166
methyl 5-[[[3-oxo-3-(propan-2-ylamino)propyl]amino]methyl]furan-3-carboxylate
CID 104585949

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3-cyclohexyloxypropylamino)methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[(3-cyclohexyloxypropylamino)methyl]furan-3-carboxylate (CID 104585865) is methyl 5-[(3-cyclohexyloxypropylamino)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[(3-cyclohexyloxypropylamino)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[(3-cyclohexyloxypropylamino)methyl]furan-3-carboxylate is COC(=O)c1coc(CNCCCOC2CCCCC2)c1.
What is the InChIKey of methyl 5-[(3-cyclohexyloxypropylamino)methyl]furan-3-carboxylate?
The InChIKey is ZLORWRVVSHURJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-19-16(18)13-10-15(21-12-13)11-17-8-5-9-20-14-6-3-2-4-7-14/h10,12,14,17H,2-9,11H2,1H3.
What are the key properties of methyl 5-[(3-cyclohexyloxypropylamino)methyl]furan-3-carboxylate?
methyl 5-[(3-cyclohexyloxypropylamino)methyl]furan-3-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3-cyclohexyloxypropylamino)methyl]furan-3-carboxylate is sourced from PubChem (CID 104585865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).