2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide

C16H26N2O2 — CID 107930160

IUPAC2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCCCCC(CC)COc1ccc(C)cc1/C(N)=N/O
InChIInChI=1S/C16H26N2O2/c1-4-6-7-13(5-2)11-20-15-9-8-12(3)10-14(15)16(17)18-19/h8-10,13,19H,4-7,11H2,1-3H3,(H2,17,18)
InChIKeyNRNDSGSVBAIICA-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.68
Rot. Bonds8

About 2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide

2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide (PubChem CID 107930160) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
PubChem CID107930160
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
SMILESCCCCC(CC)COc1ccc(C)cc1/C(N)=N/O
InChIInChI=1S/C16H26N2O2/c1-4-6-7-13(5-2)11-20-15-9-8-12(3)10-14(15)16(17)18-19/h8-10,13,19H,4-7,11H2,1-3H3,(H2,17,18)
InChIKeyNRNDSGSVBAIICA-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930175
4-(2-ethylhexoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277300
4-(2-ethylhexoxy)-N'-hydroxy-3-methoxybenzenecarboximidamide
CID 76917560
2-(2,2-difluoroethoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930246
3-bromo-4-(2-ethylhexoxy)-N'-hydroxybenzenecarboximidamide
CID 82798762
2-(2-ethylhexoxy)-4-methylaniline
CID 63404064
N'-hydroxy-5-methyl-2-octan-2-yloxybenzenecarboximidamide
CID 107930155
N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine
CID 63485344
5-bromo-2-(2-ethylhexoxy)benzenecarbothioamide
CID 83144919
3-[2-(2-ethylhexoxy)-5-methylphenyl]prop-2-yn-1-amine
CID 63418926
2-[(2S)-2-ethylhexoxy]-4-methylbenzonitrile
CID 5479081
5-amino-2-(2-ethylhexoxy)benzoic acid
CID 54888104

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide (CID 107930160) is 2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide is CCCCC(CC)COc1ccc(C)cc1/C(N)=N/O.
What is the InChIKey of 2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
The InChIKey is NRNDSGSVBAIICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-6-7-13(5-2)11-20-15-9-8-12(3)10-14(15)16(17)18-19/h8-10,13,19H,4-7,11H2,1-3H3,(H2,17,18).
What are the key properties of 2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide?
2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide has a molecular weight of 278.40 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)-N'-hydroxy-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).