5-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide

C15H23ClN2O2 — CID 77063169

IUPAC5-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCc1cc(Cl)cc(C)c1OCCCC(C)(C)C(N)=NO
InChIInChI=1S/C15H23ClN2O2/c1-10-8-12(16)9-11(2)13(10)20-7-5-6-15(3,4)14(17)18-19/h8-9,19H,5-7H2,1-4H3,(H2,17,18)
InChIKeyHFAABAKXAPOWTO-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.89
Rot. Bonds6

About 5-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063169) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 5-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063169
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name5-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCc1cc(Cl)cc(C)c1OCCCC(C)(C)C(N)=NO
InChIInChI=1S/C15H23ClN2O2/c1-10-8-12(16)9-11(2)13(10)20-7-5-6-15(3,4)14(17)18-19/h8-9,19H,5-7H2,1-4H3,(H2,17,18)
InChIKeyHFAABAKXAPOWTO-UHFFFAOYSA-N
XLogP3.89
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063405
5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063274
5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
CID 123242846
N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide
CID 77063242
4-(5-chloro-2-methylanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062230
N'-hydroxy-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butanimidamide
CID 77062598
N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide
CID 77063288
4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062743
6-(5-bromo-2-chlorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711852
5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063291
5-(2,5-dichloro-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104727352
N'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide
CID 77063203

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063169) is 5-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide is Cc1cc(Cl)cc(C)c1OCCCC(C)(C)C(N)=NO.
What is the InChIKey of 5-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is HFAABAKXAPOWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-10-8-12(16)9-11(2)13(10)20-7-5-6-15(3,4)14(17)18-19/h8-9,19H,5-7H2,1-4H3,(H2,17,18).
What are the key properties of 5-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 298.81 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).