N'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide

C15H24N2O3 — CID 77066162

IUPACN'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide
SMILESCOc1ccc(COCCCC(C)C)cc1C(N)=NO
InChIInChI=1S/C15H24N2O3/c1-11(2)5-4-8-20-10-12-6-7-14(19-3)13(9-12)15(16)17-18/h6-7,9,11,18H,4-5,8,10H2,1-3H3,(H2,16,17)
InChIKeyZYMYJXVJGAAHBX-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.74
Rot. Bonds8

About N'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide

N'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide (PubChem CID 77066162) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide
PubChem CID77066162
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide
SMILESCOc1ccc(COCCCC(C)C)cc1C(N)=NO
InChIInChI=1S/C15H24N2O3/c1-11(2)5-4-8-20-10-12-6-7-14(19-3)13(9-12)15(16)17-18/h6-7,9,11,18H,4-5,8,10H2,1-3H3,(H2,16,17)
InChIKeyZYMYJXVJGAAHBX-UHFFFAOYSA-N
XLogP2.74
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N'-hydroxy-2-methoxy-5-(methoxymethyl)benzenecarboximidamide
CID 77066179
N'-hydroxy-2-methoxy-4-(3-methoxypropoxymethyl)benzenecarboximidamide
CID 106790372
N'-hydroxy-2-methoxy-4-(2-methylpropoxymethyl)benzenecarboximidamide
CID 106790281
4-(heptoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106790332
5-(furan-2-ylmethoxymethyl)-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77066161
5-[(3-ethoxypropylamino)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065815
N'-hydroxy-2-(4-methylpentoxymethyl)benzenecarboximidamide
CID 43128393
N'-hydroxy-2-methoxy-4-(4,4,4-trifluorobutoxymethyl)benzenecarboximidamide
CID 106790455
N'-hydroxy-2-methoxy-5-(oxan-2-ylmethoxymethyl)benzenecarboximidamide
CID 77066016
N'-hydroxy-2-methoxy-5-[(2-propan-2-yloxyethylamino)methyl]benzenecarboximidamide
CID 104762048
5-[[bis(2-hydroxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 77065876
2-methoxy-5-(octoxymethyl)benzenecarbothioamide
CID 65344193

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide (CID 77066162) is N'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide is COc1ccc(COCCCC(C)C)cc1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide?
The InChIKey is ZYMYJXVJGAAHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(2)5-4-8-20-10-12-6-7-14(19-3)13(9-12)15(16)17-18/h6-7,9,11,18H,4-5,8,10H2,1-3H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide?
N'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide has a molecular weight of 280.37 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methoxy-5-(4-methylpentoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 77066162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).