N'-hydroxy-2-(4-methylphenyl)-2-(oxan-2-yloxy)ethanimidamide

C14H20N2O3 — CID 86617006

IUPACN'-hydroxy-2-(4-methylphenyl)-2-(oxan-2-yloxy)ethanimidamide
SMILESCc1ccc(C(OC2CCCCO2)/C(N)=N\O)cc1
InChIInChI=1S/C14H20N2O3/c1-10-5-7-11(8-6-10)13(14(15)16-17)19-12-4-2-3-9-18-12/h5-8,12-13,17H,2-4,9H2,1H3,(H2,15,16)
InChIKeyKREVYGXANFPBIY-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.33
Rot. Bonds4

About N'-hydroxy-2-(4-methylphenyl)-2-(oxan-2-yloxy)ethanimidamide

N'-hydroxy-2-(4-methylphenyl)-2-(oxan-2-yloxy)ethanimidamide (PubChem CID 86617006) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methylphenyl)-2-(oxan-2-yloxy)ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methylphenyl)-2-(oxan-2-yloxy)ethanimidamide
PubChem CID86617006
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN'-hydroxy-2-(4-methylphenyl)-2-(oxan-2-yloxy)ethanimidamide
SMILESCc1ccc(C(OC2CCCCO2)/C(N)=N\O)cc1
InChIInChI=1S/C14H20N2O3/c1-10-5-7-11(8-6-10)13(14(15)16-17)19-12-4-2-3-9-18-12/h5-8,12-13,17H,2-4,9H2,1H3,(H2,15,16)
InChIKeyKREVYGXANFPBIY-UHFFFAOYSA-N
XLogP2.33
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.33
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-yloxy)-2-pyridin-2-ylethanimidamide
CID 88623070
[2-(4-methylphenyl)-2-(oxan-2-yloxy)ethyl] methanesulfonate
CID 18003711
[2-(4-methylphenyl)-2-(oxan-2-yloxy)ethyl] 4-methylbenzenesulfonate
CID 18003721
S-ethyl (2S)-2-(oxan-2-yloxy)-2-phenylethanethioate
CID 135077940
2-[4-(4-methylphenyl)pentoxy]oxane
CID 13212687
(1R,2R)-2-(oxan-2-yloxy)-1,2-diphenylethanol
CID 71209539
[2-(1,3-benzodioxol-5-yl)-2-(oxan-2-yloxy)ethyl] methanesulfonate
CID 18003674
1-[4-(oxan-2-yloxy)phenyl]ethanamine
CID 160804059
2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide
CID 18411494
(2S)-2-(4-ethynylphenyl)-2-(oxan-2-yloxy)ethanol
CID 118658427
2-(2,4-difluorophenyl)-2-(oxan-2-yloxy)ethanimidamide
CID 54203855
[2-(2-aminophenyl)-2-(oxan-2-yloxy)ethyl] methanesulfonate
CID 18003684

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-methylphenyl)-2-(oxan-2-yloxy)ethanimidamide?
The IUPAC name of N'-hydroxy-2-(4-methylphenyl)-2-(oxan-2-yloxy)ethanimidamide (CID 86617006) is N'-hydroxy-2-(4-methylphenyl)-2-(oxan-2-yloxy)ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methylphenyl)-2-(oxan-2-yloxy)ethanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-methylphenyl)-2-(oxan-2-yloxy)ethanimidamide is Cc1ccc(C(OC2CCCCO2)/C(N)=N\O)cc1.
What is the InChIKey of N'-hydroxy-2-(4-methylphenyl)-2-(oxan-2-yloxy)ethanimidamide?
The InChIKey is KREVYGXANFPBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-5-7-11(8-6-10)13(14(15)16-17)19-12-4-2-3-9-18-12/h5-8,12-13,17H,2-4,9H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-(4-methylphenyl)-2-(oxan-2-yloxy)ethanimidamide?
N'-hydroxy-2-(4-methylphenyl)-2-(oxan-2-yloxy)ethanimidamide has a molecular weight of 264.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-methylphenyl)-2-(oxan-2-yloxy)ethanimidamide is sourced from PubChem (CID 86617006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).