methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate

C14H20N2O5 — CID 115628854

IUPACmethyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(C)C(=O)N2CCOCC2)o1
InChIInChI=1S/C14H20N2O5/c1-10(13(17)16-5-7-20-8-6-16)15-9-11-3-4-12(21-11)14(18)19-2/h3-4,10,15H,5-9H2,1-2H3
InChIKeyLJDDSFFEKNTVNW-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.40
Rot. Bonds5

About methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate

methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate (PubChem CID 115628854) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate
PubChem CID115628854
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Namemethyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(C)C(=O)N2CCOCC2)o1
InChIInChI=1S/C14H20N2O5/c1-10(13(17)16-5-7-20-8-6-16)15-9-11-3-4-12(21-11)14(18)19-2/h3-4,10,15H,5-9H2,1-2H3
InChIKeyLJDDSFFEKNTVNW-UHFFFAOYSA-N
XLogP0.40
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

2-[(5-chlorofuran-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 112683112
2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115621805
2-[(4-fluorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 43083712
2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115593323
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115653757
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]-1-morpholin-4-ylpropan-1-one
CID 115588959
4-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]benzamide
CID 115569779
methyl 5-[(butan-2-ylamino)methyl]furan-2-carboxylate chloride
CID 53314358
5-(aminomethyl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)furan-2-carboxamide
CID 115738756
methyl 5-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carboxylate
CID 112684787
methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate
CID 43234866
methyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate
CID 103923521

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate (CID 115628854) is methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNC(C)C(=O)N2CCOCC2)o1.
What is the InChIKey of methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate?
The InChIKey is LJDDSFFEKNTVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-10(13(17)16-5-7-20-8-6-16)15-9-11-3-4-12(21-11)14(18)19-2/h3-4,10,15H,5-9H2,1-2H3.
What are the key properties of methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate?
methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate has a molecular weight of 296.32 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 115628854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).