methyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate

C14H21NO4 — CID 103923521

IUPACmethyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCC2(C)CCOCC2)o1
InChIInChI=1S/C14H21NO4/c1-14(5-7-18-8-6-14)10-15-9-11-3-4-12(19-11)13(16)17-2/h3-4,15H,5-10H2,1-2H3
InChIKeyOONDZKVUMKOTCP-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.97
Rot. Bonds5

About methyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate

methyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate (PubChem CID 103923521) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate
PubChem CID103923521
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNCC2(C)CCOCC2)o1
InChIInChI=1S/C14H21NO4/c1-14(5-7-18-8-6-14)10-15-9-11-3-4-12(19-11)13(16)17-2/h3-4,15H,5-10H2,1-2H3
InChIKeyOONDZKVUMKOTCP-UHFFFAOYSA-N
XLogP1.97
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[(1-propan-2-ylcyclopropyl)methylamino]methyl]furan-2-carboxylate
CID 103923509
methyl 5-[(cyclobutylmethylamino)methyl]furan-2-carboxylate
CID 43775265
methyl 5-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]furan-2-carboxylate
CID 65117203
methyl 4-[[(1-methylcyclopropyl)methylamino]methyl]benzoate
CID 103923526
[4-[[(4-methyloxan-4-yl)methylamino]methyl]phenyl]methanamine
CID 114125954
methyl 5-[[[(2R)-2-hydroxypropyl]amino]methyl]furan-2-carboxylate
CID 103923855
methyl 5-(methylaminomethyl)furan-2-carboxylate;hydrochloride
CID 86812264
methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate
CID 115628854
methyl 5-[[(2-ethoxy-2-oxoethyl)amino]methyl]furan-2-carboxylate
CID 60810799
methyl 5-(morpholin-4-ium-4-ylmethyl)furan-2-carboxylate
CID 5077998
methyl 5-[(2-phenylethylamino)methyl]furan-2-carboxylate
CID 43219084
methyl 5-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carboxylate
CID 112684787

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate (CID 103923521) is methyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNCC2(C)CCOCC2)o1.
What is the InChIKey of methyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate?
The InChIKey is OONDZKVUMKOTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(5-7-18-8-6-14)10-15-9-11-3-4-12(19-11)13(16)17-2/h3-4,15H,5-10H2,1-2H3.
What are the key properties of methyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate?
methyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate has a molecular weight of 267.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 103923521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).