N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide

C13H18N2O3 — CID 62308507

IUPACN'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)c(OCC2CCCO2)c1
InChIInChI=1S/C13H18N2O3/c1-9-4-5-11(13(14)15-16)12(7-9)18-8-10-3-2-6-17-10/h4-5,7,10,16H,2-3,6,8H2,1H3,(H2,14,15)
InChIKeyDZGYZUCTGFWGBM-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.65
Rot. Bonds4

About N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide

N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide (PubChem CID 62308507) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
PubChem CID62308507
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
SMILESCc1ccc(/C(N)=N/O)c(OCC2CCCO2)c1
InChIInChI=1S/C13H18N2O3/c1-9-4-5-11(13(14)15-16)12(7-9)18-8-10-3-2-6-17-10/h4-5,7,10,16H,2-3,6,8H2,1H3,(H2,14,15)
InChIKeyDZGYZUCTGFWGBM-UHFFFAOYSA-N
XLogP1.65
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.65
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

2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939071
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620
N'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide
CID 43200025
N'-hydroxy-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 107109641
(1R)-1-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 78947367
(NE)-N-[1-[4-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 82001539
potassium trifluoro-[5-methyl-2-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63676205
2-amino-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119339664
5-methyl-2-(oxolan-2-ylmethoxy)benzenesulfinic acid
CID 165449244
5-methyl-2-(oxan-2-ylmethoxy)benzoic acid
CID 55025159
N'-hydroxy-2-methoxy-4-(oxolan-2-ylmethylsulfanylmethyl)benzenecarboximidamide
CID 106791859

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide (CID 62308507) is N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide is Cc1ccc(/C(N)=N/O)c(OCC2CCCO2)c1.
What is the InChIKey of N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide?
The InChIKey is DZGYZUCTGFWGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-4-5-11(13(14)15-16)12(7-9)18-8-10-3-2-6-17-10/h4-5,7,10,16H,2-3,6,8H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide?
N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide has a molecular weight of 250.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 62308507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).