N'-hydroxy-3-methoxy-5-(3-methylcyclohexyl)oxybenzenecarboximidamide

C15H22N2O3 — CID 103567551

IUPACN'-hydroxy-3-methoxy-5-(3-methylcyclohexyl)oxybenzenecarboximidamide
SMILESCOc1cc(OC2CCCC(C)C2)cc(/C(N)=N/O)c1
InChIInChI=1S/C15H22N2O3/c1-10-4-3-5-12(6-10)20-14-8-11(15(16)17-18)7-13(9-14)19-2/h7-10,12,18H,3-6H2,1-2H3,(H2,16,17)
InChIKeyMNRUOHSWYVGPSZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.75
Rot. Bonds4

About N'-hydroxy-3-methoxy-5-(3-methylcyclohexyl)oxybenzenecarboximidamide

N'-hydroxy-3-methoxy-5-(3-methylcyclohexyl)oxybenzenecarboximidamide (PubChem CID 103567551) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N'-hydroxy-3-methoxy-5-(3-methylcyclohexyl)oxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methoxy-5-(3-methylcyclohexyl)oxybenzenecarboximidamide
PubChem CID103567551
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN'-hydroxy-3-methoxy-5-(3-methylcyclohexyl)oxybenzenecarboximidamide
SMILESCOc1cc(OC2CCCC(C)C2)cc(/C(N)=N/O)c1
InChIInChI=1S/C15H22N2O3/c1-10-4-3-5-12(6-10)20-14-8-11(15(16)17-18)7-13(9-14)19-2/h7-10,12,18H,3-6H2,1-2H3,(H2,16,17)
InChIKeyMNRUOHSWYVGPSZ-UHFFFAOYSA-N
XLogP2.75
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[3-methoxy-5-(3-methylcyclohexyl)oxyphenyl]methanamine
CID 103566012
N'-hydroxy-2-methyl-6-(3-methylcyclohexyl)oxypyridine-4-carboximidamide
CID 137013763
3-(cyclopentylmethoxy)-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567543
3-(2-ethylcyclohexyl)oxy-N'-hydroxy-5-methoxybenzenecarboximidamide
CID 103567498
3-cycloheptyloxy-5-methoxybenzenecarbothioamide
CID 103567350
(3-methylcyclohexyl) 3-amino-5-methoxybenzoate
CID 81091233
N'-hydroxy-4-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 43188242
[5-methoxy-2-(3-methylcyclohexyl)oxyphenyl]boronic acid
CID 104706054
N-[1-[3-methoxy-4-(3-methylcyclohexyl)oxyphenyl]ethylidene]hydroxylamine
CID 77034344
2-bromo-N'-hydroxy-4-(3-methoxycyclohexyl)oxybenzenecarboximidamide
CID 107279013
2-bromo-3-fluoro-N'-hydroxy-4-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 107536167
2-chloro-4-[(1R,3R)-3-methylcyclohexyl]oxybenzonitrile
CID 58587579

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methoxy-5-(3-methylcyclohexyl)oxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methoxy-5-(3-methylcyclohexyl)oxybenzenecarboximidamide (CID 103567551) is N'-hydroxy-3-methoxy-5-(3-methylcyclohexyl)oxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methoxy-5-(3-methylcyclohexyl)oxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methoxy-5-(3-methylcyclohexyl)oxybenzenecarboximidamide is COc1cc(OC2CCCC(C)C2)cc(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-3-methoxy-5-(3-methylcyclohexyl)oxybenzenecarboximidamide?
The InChIKey is MNRUOHSWYVGPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-4-3-5-12(6-10)20-14-8-11(15(16)17-18)7-13(9-14)19-2/h7-10,12,18H,3-6H2,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-methoxy-5-(3-methylcyclohexyl)oxybenzenecarboximidamide?
N'-hydroxy-3-methoxy-5-(3-methylcyclohexyl)oxybenzenecarboximidamide has a molecular weight of 278.35 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methoxy-5-(3-methylcyclohexyl)oxybenzenecarboximidamide is sourced from PubChem (CID 103567551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).