N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide

C14H22N2O3 — CID 77063242

IUPACN'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide
SMILESCOc1ccc(OCCCC(C)(C)C(N)=NO)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,13(15)16-17)9-4-10-19-12-7-5-11(18-3)6-8-12/h5-8,17H,4,9-10H2,1-3H3,(H2,15,16)
InChIKeyQRJZBMYBCGIOBH-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.63
Rot. Bonds7

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

N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide (PubChem CID 77063242) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide
PubChem CID77063242
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide
SMILESCOc1ccc(OCCCC(C)(C)C(N)=NO)cc1
InChIInChI=1S/C14H22N2O3/c1-14(2,13(15)16-17)9-4-10-19-12-7-5-11(18-3)6-8-12/h5-8,17H,4,9-10H2,1-3H3,(H2,15,16)
InChIKeyQRJZBMYBCGIOBH-UHFFFAOYSA-N
XLogP2.63
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.63
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-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide
CID 77063288
5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063405
4-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062663
N'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide
CID 77062709
6-(4-bromo-3-fluorophenoxy)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711864
N'-hydroxy-2,2-dimethyl-5-(3-propan-2-ylphenoxy)pentanimidamide
CID 77063290
4-(2-bromo-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77069992
5-(2-ethoxyphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063291
N'-hydroxy-5-(3-methoxyanilino)-2,2-dimethylpentanimidamide
CID 77063510
5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064018
N'-hydroxy-4-(4-methoxy-2-methylanilino)-2,2-dimethylbutanimidamide
CID 77062215
4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062149

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide (CID 77063242) is N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide is COc1ccc(OCCCC(C)(C)C(N)=NO)cc1.
What is the InChIKey of N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide?
The InChIKey is QRJZBMYBCGIOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,13(15)16-17)9-4-10-19-12-7-5-11(18-3)6-8-12/h5-8,17H,4,9-10H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide?
N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide has a molecular weight of 266.34 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).