4-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide

C15H19N3O3 — CID 81392882

IUPAC4-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide
SMILESC[C@@H](NCCOc1ccc(/C(N)=N/O)cc1)c1ccco1
InChIInChI=1S/C15H19N3O3/c1-11(14-3-2-9-21-14)17-8-10-20-13-6-4-12(5-7-13)15(16)18-19/h2-7,9,11,17,19H,8,10H2,1H3,(H2,16,18)/t11-/m1/s1
InChIKeyYUANOGHKFCUDRT-LLVKDONJSA-N
MW289.34 g/mol
LogP2.10
Rot. Bonds7

About 4-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide

4-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 81392882) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID81392882
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name4-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide
SMILESC[C@@H](NCCOc1ccc(/C(N)=N/O)cc1)c1ccco1
InChIInChI=1S/C15H19N3O3/c1-11(14-3-2-9-21-14)17-8-10-20-13-6-4-12(5-7-13)15(16)18-19/h2-7,9,11,17,19H,8,10H2,1H3,(H2,16,18)/t11-/m1/s1
InChIKeyYUANOGHKFCUDRT-LLVKDONJSA-N
XLogP2.10
TPSA93.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide (CID 81392882) is 4-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide is C[C@@H](NCCOc1ccc(/C(N)=N/O)cc1)c1ccco1.
What is the InChIKey of 4-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is YUANOGHKFCUDRT-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11(14-3-2-9-21-14)17-8-10-20-13-6-4-12(5-7-13)15(16)18-19/h2-7,9,11,17,19H,8,10H2,1H3,(H2,16,18)/t11-/m1/s1.
What are the key properties of 4-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide?
4-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 289.34 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 81392882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).