N'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide

C16H26N2O2 — CID 107930155

IUPACN'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide
SMILESCCCCCCC(C)Oc1ccc(C)cc1/C(N)=N/O
InChIInChI=1S/C16H26N2O2/c1-4-5-6-7-8-13(3)20-15-10-9-12(2)11-14(15)16(17)18-19/h9-11,13,19H,4-8H2,1-3H3,(H2,17,18)
InChIKeyRNXAMXRNALHQCO-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.83
Rot. Bonds8

About N'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide

N'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide (PubChem CID 107930155) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide
PubChem CID107930155
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide
SMILESCCCCCCC(C)Oc1ccc(C)cc1/C(N)=N/O
InChIInChI=1S/C16H26N2O2/c1-4-5-6-7-8-13(3)20-15-10-9-12(2)11-14(15)16(17)18-19/h9-11,13,19H,4-8H2,1-3H3,(H2,17,18)
InChIKeyRNXAMXRNALHQCO-UHFFFAOYSA-N
XLogP3.83
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930175
2-[(2R)-heptan-2-yl]oxy-5-methylaniline
CID 40788230
5-chloro-N'-hydroxy-2-pentan-2-yloxybenzenecarboximidamide
CID 102982026
2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930160
N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide
CID 76999670
2-butylsulfanyl-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107931068
2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930246
N'-hydroxy-5-methyl-2-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 107930162
N'-hydroxy-5-methyl-2-phenoxybenzenecarboximidamide
CID 107930097
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810
5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide
CID 76944556
N'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide
CID 107892897

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide (CID 107930155) is N'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide is CCCCCCC(C)Oc1ccc(C)cc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide?
The InChIKey is RNXAMXRNALHQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-5-6-7-8-13(3)20-15-10-9-12(2)11-14(15)16(17)18-19/h9-11,13,19H,4-8H2,1-3H3,(H2,17,18).
What are the key properties of N'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide?
N'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide has a molecular weight of 278.40 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide is sourced from PubChem (CID 107930155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).