N'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide

C15H22N2O4 — CID 77066016

IUPACN'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide
SMILESCOc1ccc(COCC2CCCCO2)cc1C(N)=NO
InChIInChI=1S/C15H22N2O4/c1-19-14-6-5-11(8-13(14)15(16)17-18)9-20-10-12-4-2-3-7-21-12/h5-6,8,12,18H,2-4,7,9-10H2,1H3,(H2,16,17)
InChIKeyRRXVMLYDRHWNKG-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.88
Rot. Bonds6

About N'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide

N'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide (PubChem CID 77066016) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide
PubChem CID77066016
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide
SMILESCOc1ccc(COCC2CCCCO2)cc1C(N)=NO
InChIInChI=1S/C15H22N2O4/c1-19-14-6-5-11(8-13(14)15(16)17-18)9-20-10-12-4-2-3-7-21-12/h5-6,8,12,18H,2-4,7,9-10H2,1H3,(H2,16,17)
InChIKeyRRXVMLYDRHWNKG-UHFFFAOYSA-N
XLogP1.88
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.88
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

2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid
CID 106793954
2-[(3-bromo-4-methoxyphenyl)methoxymethyl]oxolane
CID 54970562
2-methoxy-4-(oxolan-2-ylmethoxymethyl)benzenecarboximidamide
CID 106791157
N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide
CID 77066179
N'-hydroxy-2-methoxy-4-(oxan-4-ylmethoxymethyl)benzenecarboximidamide
CID 106790406
5-(cyclopentylsulfanylmethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065983
N'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide
CID 77066162
N'-hydroxy-2-methoxy-4-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide
CID 106791859
N'-hydroxy-2-methoxy-5-[[1-(oxolan-2-yl)ethylamino]methyl]benzenecarboximidamide
CID 77065751
N'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide
CID 43200025
N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 62308507
5-(furan-2-ylmethoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77066161

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide (CID 77066016) is N'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide is COc1ccc(COCC2CCCCO2)cc1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide?
The InChIKey is RRXVMLYDRHWNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-14-6-5-11(8-13(14)15(16)17-18)9-20-10-12-4-2-3-7-21-12/h5-6,8,12,18H,2-4,7,9-10H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide?
N'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide has a molecular weight of 294.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 77066016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).