[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate

C25H31FN2O6 — CID 30670466

IUPAC[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
SMILESO=C(COC(=O)c1ccc(COc2ccc(F)cc2)o1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C25H31FN2O6/c26-19-4-6-20(7-5-19)32-16-21-8-9-22(34-21)24(30)33-17-23(29)27-18-25(10-2-1-3-11-25)28-12-14-31-15-13-28/h4-9H,1-3,10-18H2,(H,27,29)
InChIKeyHRMYNDITZBWBRB-UHFFFAOYSA-N
MW474.53 g/mol
LogP3.31
Rot. Bonds9

About [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate

[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate (PubChem CID 30670466) has the molecular formula C25H31FN2O6 and a molecular weight of 474.53 g/mol. Its IUPAC name is [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Name[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
PubChem CID30670466
Molecular FormulaC25H31FN2O6
Molecular Weight474.53 g/mol
Exact Mass474.22
IUPAC Name[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
SMILESO=C(COC(=O)c1ccc(COc2ccc(F)cc2)o1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C25H31FN2O6/c26-19-4-6-20(7-5-19)32-16-21-8-9-22(34-21)24(30)33-17-23(29)27-18-25(10-2-1-3-11-25)28-12-14-31-15-13-28/h4-9H,1-3,10-18H2,(H,27,29)
InChIKeyHRMYNDITZBWBRB-UHFFFAOYSA-N
XLogP3.31
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate with MolForge

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Related Compounds

2-(2,4-difluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 39430568
5-(methoxymethyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]furan-2-carboxamide
CID 78827478
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-amino-5-nitrobenzoate
CID 43040015
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 4-chloro-2-hydroxybenzoate
CID 55536838
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 46511214
2-(2-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994960
N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 34949414
[2-(furan-2-carbonylamino)-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 24557683
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 31836704
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 46789661
2-(4-fluorophenoxy)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 91914822
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 39799937

Frequently Asked Questions

What is the IUPAC name of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate?
The IUPAC name of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate (CID 30670466) is [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate is O=C(COC(=O)c1ccc(COc2ccc(F)cc2)o1)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate?
The InChIKey is HRMYNDITZBWBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O6/c26-19-4-6-20(7-5-19)32-16-21-8-9-22(34-21)24(30)33-17-23(29)27-18-25(10-2-1-3-11-25)28-12-14-31-15-13-28/h4-9H,1-3,10-18H2,(H,27,29).
What are the key properties of [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate?
[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate has a molecular weight of 474.53 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 30670466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).