N'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide

C13H20N2O3 — CID 77062709

IUPACN'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide
SMILESCC(C)(CCOc1ccc(CO)cc1)C(N)=NO
InChIInChI=1S/C13H20N2O3/c1-13(2,12(14)15-17)7-8-18-11-5-3-10(9-16)4-6-11/h3-6,16-17H,7-9H2,1-2H3,(H2,14,15)
InChIKeyYAUGAUJBPXKLPH-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.72
Rot. Bonds6

About N'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide

N'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide (PubChem CID 77062709) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide
PubChem CID77062709
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide
SMILESCC(C)(CCOc1ccc(CO)cc1)C(N)=NO
InChIInChI=1S/C13H20N2O3/c1-13(2,12(14)15-17)7-8-18-11-5-3-10(9-16)4-6-11/h3-6,16-17H,7-9H2,1-2H3,(H2,14,15)
InChIKeyYAUGAUJBPXKLPH-UHFFFAOYSA-N
XLogP1.72
TPSA88.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.72
H-Bond Donors ≤ 53
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-(4-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062663
N'-hydroxy-5-(4-methoxyphenoxy)-2,2-dimethylpentanimidamide
CID 77063242
4-(3,5-dimethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062743
4-(3-ethylphenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062790
1-amino-4-[4-(hydroxymethyl)phenoxy]-2-methylbutan-2-ol
CID 64819436
5-(3,4-dimethylphenoxy)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063405
N'-hydroxy-2,2-dimethyl-5-naphthalen-2-yloxypentanimidamide
CID 77063288
6-[4-(hydroxymethyl)phenoxy]-2,2-dimethylhexanimidamide
CID 106712416
4-(2-bromophenoxy)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062701
N'-hydroxy-2,2-dimethyl-4-(2,4,5-trichlorophenoxy)butanimidamide
CID 77062598
2,2-dimethyl-4-(4-propylphenoxy)butanethioamide
CID 65247685
[4-[13-[4-(hydroxymethyl)phenoxy]tridecoxy]phenyl]methanol
CID 118229822

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide (CID 77062709) is N'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide is CC(C)(CCOc1ccc(CO)cc1)C(N)=NO.
What is the InChIKey of N'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide?
The InChIKey is YAUGAUJBPXKLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,12(14)15-17)7-8-18-11-5-3-10(9-16)4-6-11/h3-6,16-17H,7-9H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide?
N'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide has a molecular weight of 252.31 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[4-(hydroxymethyl)phenoxy]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).