N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide

C15H16N2O3 — CID 81277967

IUPACN'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide
SMILESCOc1ccc(Oc2ccc(/C(N)=N/O)c(C)c2)cc1
InChIInChI=1S/C15H16N2O3/c1-10-9-13(7-8-14(10)15(16)17-18)20-12-5-3-11(19-2)4-6-12/h3-9,18H,1-2H3,(H2,16,17)
InChIKeyBIKCKUNLMBYRRP-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.89
Rot. Bonds4

About N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide

N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide (PubChem CID 81277967) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide
PubChem CID81277967
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide
SMILESCOc1ccc(Oc2ccc(/C(N)=N/O)c(C)c2)cc1
InChIInChI=1S/C15H16N2O3/c1-10-9-13(7-8-14(10)15(16)17-18)20-12-5-3-11(19-2)4-6-12/h3-9,18H,1-2H3,(H2,16,17)
InChIKeyBIKCKUNLMBYRRP-UHFFFAOYSA-N
XLogP2.89
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.89
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

4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277438
4-(4-ethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277675
N'-hydroxy-4-(4-methoxyphenoxy)benzenecarboximidamide
CID 43188223
2-(3,4-dimethylphenoxy)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81297165
4-[(5-chloro-3-pyridinyl)oxy]-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277984
N'-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56675946
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454
N'-hydroxy-4-(3-methoxypropoxy)-2-methylbenzenecarboximidamide
CID 81277376
N'-hydroxy-2-methyl-4-(3-nitrophenoxy)benzenecarboximidamide
CID 81272991
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
N'-hydroxy-2-methyl-4-(2-methylsulfanylphenoxy)benzenecarboximidamide
CID 81277531
2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 83385991

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide (CID 81277967) is N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide is COc1ccc(Oc2ccc(/C(N)=N/O)c(C)c2)cc1.
What is the InChIKey of N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide?
The InChIKey is BIKCKUNLMBYRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-9-13(7-8-14(10)15(16)17-18)20-12-5-3-11(19-2)4-6-12/h3-9,18H,1-2H3,(H2,16,17).
What are the key properties of N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide?
N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide has a molecular weight of 272.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide is sourced from PubChem (CID 81277967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).