5-(furan-2-ylmethoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide

C14H16N2O4 — CID 77066161

IUPAC5-(furan-2-ylmethoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCOc1ccc(COCc2ccco2)cc1C(N)=NO
InChIInChI=1S/C14H16N2O4/c1-18-13-5-4-10(7-12(13)14(15)16-17)8-19-9-11-3-2-6-20-11/h2-7,17H,8-9H2,1H3,(H2,15,16)
InChIKeySURSKCRVSZMUIG-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.10
Rot. Bonds6

About 5-(furan-2-ylmethoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide

5-(furan-2-ylmethoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide (PubChem CID 77066161) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-(furan-2-ylmethoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name5-(furan-2-ylmethoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
PubChem CID77066161
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name5-(furan-2-ylmethoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
SMILESCOc1ccc(COCc2ccco2)cc1C(N)=NO
InChIInChI=1S/C14H16N2O4/c1-18-13-5-4-10(7-12(13)14(15)16-17)8-19-9-11-3-2-6-20-11/h2-7,17H,8-9H2,1H3,(H2,15,16)
InChIKeySURSKCRVSZMUIG-UHFFFAOYSA-N
XLogP2.10
TPSA90.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide
CID 77066179
[5-(furan-2-ylmethoxymethyl)-2-methoxyphenyl]methanamine
CID 65338776
N'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide
CID 77066162
N'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide
CID 77066016
2-fluoro-3-(furan-2-ylmethoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 107117587
2-[(3,4-dimethoxyphenyl)methyl]furan
CID 71735507
N'-hydroxy-2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide
CID 65340258
N'-hydroxy-2-methoxy-5-(propylaminomethyl)benzenecarboximidamide
CID 77065913
N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide
CID 106790372
5-[[bis(2-hydroxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065876
3-[[3-(N'-hydroxycarbamimidoyl)-4-methoxyphenyl]methylamino]propanamide
CID 77065797
N'-hydroxy-2-methoxy-5-[(2-methylsulfanylethylamino)methyl]benzenecarboximidamide
CID 65340181

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide?
The IUPAC name of 5-(furan-2-ylmethoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide (CID 77066161) is 5-(furan-2-ylmethoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 5-(furan-2-ylmethoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide?
The canonical SMILES for 5-(furan-2-ylmethoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide is COc1ccc(COCc2ccco2)cc1C(N)=NO.
What is the InChIKey of 5-(furan-2-ylmethoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide?
The InChIKey is SURSKCRVSZMUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-18-13-5-4-10(7-12(13)14(15)16-17)8-19-9-11-3-2-6-20-11/h2-7,17H,8-9H2,1H3,(H2,15,16).
What are the key properties of 5-(furan-2-ylmethoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide?
5-(furan-2-ylmethoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide has a molecular weight of 276.29 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 77066161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).