ethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]furan-2-carboxylate

C13H19N3O4 — CID 111859583

IUPACethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(C/N=C(\N)N2CCOCC2)o1
InChIInChI=1S/C13H19N3O4/c1-2-19-12(17)11-4-3-10(20-11)9-15-13(14)16-5-7-18-8-6-16/h3-4H,2,5-9H2,1H3,(H2,14,15)
InChIKeyJPCBZAOHJLLANR-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.60
Rot. Bonds4

About ethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]furan-2-carboxylate

ethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]furan-2-carboxylate (PubChem CID 111859583) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]furan-2-carboxylate
PubChem CID111859583
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Nameethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(C/N=C(\N)N2CCOCC2)o1
InChIInChI=1S/C13H19N3O4/c1-2-19-12(17)11-4-3-10(20-11)9-15-13(14)16-5-7-18-8-6-16/h3-4H,2,5-9H2,1H3,(H2,14,15)
InChIKeyJPCBZAOHJLLANR-UHFFFAOYSA-N
XLogP0.60
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]benzoate
CID 111024014
5-[[[amino(piperidin-1-yl)methylidene]amino]methyl]furan-2-carboxamide
CID 111601348
ethyl 5-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]furan-2-carboxylate
CID 111859603
methyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide
CID 111063808
N'-[(5-phenylfuran-2-yl)methyl]morpholine-4-carboximidamide
CID 119119031
ethyl 5-[(4-methylmorpholin-4-ium-4-yl)methyl]furan-2-carboxylate
CID 948709
4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111040924
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453
N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111036077
N-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide
CID 111040430
4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide
CID 111070775
N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044863

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]furan-2-carboxylate (CID 111859583) is ethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]furan-2-carboxylate is CCOC(=O)c1ccc(C/N=C(\N)N2CCOCC2)o1.
What is the InChIKey of ethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]furan-2-carboxylate?
The InChIKey is JPCBZAOHJLLANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-2-19-12(17)11-4-3-10(20-11)9-15-13(14)16-5-7-18-8-6-16/h3-4H,2,5-9H2,1H3,(H2,14,15).
What are the key properties of ethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]furan-2-carboxylate?
ethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]furan-2-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 111859583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).