methyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate

C16H25NO4 — CID 103251686

IUPACmethyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NCCOC2CCCCC2)o1
InChIInChI=1S/C16H25NO4/c1-12(14-8-9-15(21-14)16(18)19-2)17-10-11-20-13-6-4-3-5-7-13/h8-9,12-13,17H,3-7,10-11H2,1-2H3
InChIKeyQISNOCHLNOACKW-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.07
Rot. Bonds7

About methyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate

methyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate (PubChem CID 103251686) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate
PubChem CID103251686
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Namemethyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)NCCOC2CCCCC2)o1
InChIInChI=1S/C16H25NO4/c1-12(14-8-9-15(21-14)16(18)19-2)17-10-11-20-13-6-4-3-5-7-13/h8-9,12-13,17H,3-7,10-11H2,1-2H3
InChIKeyQISNOCHLNOACKW-UHFFFAOYSA-N
XLogP3.07
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.07
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-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate
CID 103230134
N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine
CID 63827990
methyl 5-[1-(but-3-ynylamino)ethyl]furan-2-carboxylate
CID 103251131
methyl 5-[1-(3-methylsulfanylbutylamino)ethyl]furan-2-carboxylate
CID 103266742
methyl 5-[1-[3-(dimethylamino)propylamino]ethyl]furan-2-carboxylate
CID 103235987
methyl 5-[1-[4-(dimethylamino)butylamino]ethyl]furan-2-carboxylate
CID 103244793
5-[1-(2-methoxyethylamino)ethyl]furan-2-carboxylic acid
CID 103230958
methyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate
CID 79083634
methyl 5-[1-[[3-oxo-3-(propylamino)propyl]amino]ethyl]furan-2-carboxylate
CID 103246824
methyl 5-[1-[(1-methoxycyclobutyl)methylamino]ethyl]furan-2-carboxylate
CID 114120002
methyl 5-[1-(hex-5-ynylamino)ethyl]furan-2-carboxylate
CID 114159289
5-[1-(cyclopentylmethylamino)ethyl]furan-2-carboxylic acid
CID 103237753

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate (CID 103251686) is methyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)NCCOC2CCCCC2)o1.
What is the InChIKey of methyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate?
The InChIKey is QISNOCHLNOACKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-12(14-8-9-15(21-14)16(18)19-2)17-10-11-20-13-6-4-3-5-7-13/h8-9,12-13,17H,3-7,10-11H2,1-2H3.
What are the key properties of methyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate?
methyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate is sourced from PubChem (CID 103251686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).