5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide

C15H24N2O2 — CID 77063405

IUPAC5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCc1ccc(OCCCC(C)(C)C(N)=NO)cc1C
InChIInChI=1S/C15H24N2O2/c1-11-6-7-13(10-12(11)2)19-9-5-8-15(3,4)14(16)17-18/h6-7,10,18H,5,8-9H2,1-4H3,(H2,16,17)
InChIKeyBPVXROXBPRUDNS-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.24
Rot. Bonds6

About 5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063405) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063405
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCc1ccc(OCCCC(C)(C)C(N)=NO)cc1C
InChIInChI=1S/C15H24N2O2/c1-11-6-7-13(10-12(11)2)19-9-5-8-15(3,4)14(16)17-18/h6-7,10,18H,5,8-9H2,1-4H3,(H2,16,17)
InChIKeyBPVXROXBPRUDNS-UHFFFAOYSA-N
XLogP3.24
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.24
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

N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide
CID 77063288
N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide
CID 77063242
6-(4-bromo-3-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711864
5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063963
N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
CID 77063290
5-(4-chloro-2,6-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063169
5-(4-bromo-2-methylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063274
N'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide
CID 77062215
6-(3,4-dimethylphenoxy)-2,2-dimethylhexanoic acid
CID 106714252
4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062743
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062663

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063405) is 5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide is Cc1ccc(OCCCC(C)(C)C(N)=NO)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is BPVXROXBPRUDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-6-7-13(10-12(11)2)19-9-5-8-15(3,4)14(16)17-18/h6-7,10,18H,5,8-9H2,1-4H3,(H2,16,17).
What are the key properties of 5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 264.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).