N'-hydroxy-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide

C13H18N2O3 — CID 107109641

IUPACN'-hydroxy-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1OCC1CCCO1
InChIInChI=1S/C13H18N2O3/c1-9-4-2-6-11(13(14)15-16)12(9)18-8-10-5-3-7-17-10/h2,4,6,10,16H,3,5,7-8H2,1H3,(H2,14,15)
InChIKeyFOYISGZTSNKAPJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.65
Rot. Bonds4

About N'-hydroxy-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide

N'-hydroxy-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide (PubChem CID 107109641) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
PubChem CID107109641
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-hydroxy-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1OCC1CCCO1
InChIInChI=1S/C13H18N2O3/c1-9-4-2-6-11(13(14)15-16)12(9)18-8-10-5-3-7-17-10/h2,4,6,10,16H,3,5,7-8H2,1H3,(H2,14,15)
InChIKeyFOYISGZTSNKAPJ-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

N'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide
CID 43200025
N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 62308507
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
(NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 55023414
3-methyl-2-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 65158626
(NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24690511
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 77057898
N'-hydroxy-2-(oxolan-2-ylmethoxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76917047
2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115954254
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2-(oxolan-2-yl)acetamide
CID 107800881
3-chloro-2-(oxolan-2-ylmethoxy)aniline
CID 43187374

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide (CID 107109641) is N'-hydroxy-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide is Cc1cccc(/C(N)=N/O)c1OCC1CCCO1.
What is the InChIKey of N'-hydroxy-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide?
The InChIKey is FOYISGZTSNKAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-4-2-6-11(13(14)15-16)12(9)18-8-10-5-3-7-17-10/h2,4,6,10,16H,3,5,7-8H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide?
N'-hydroxy-3-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-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 107109641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).