N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide

C16H26N2O2 — CID 76999670

IUPACN'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide
SMILESCCCCCCCCOc1cc(C)ccc1C(N)=NO
InChIInChI=1S/C16H26N2O2/c1-3-4-5-6-7-8-11-20-15-12-13(2)9-10-14(15)16(17)18-19/h9-10,12,19H,3-8,11H2,1-2H3,(H2,17,18)
InChIKeyYHHSNYZOXHVUNF-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.83
Rot. Bonds9

About N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide

N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide (PubChem CID 76999670) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide
PubChem CID76999670
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide
SMILESCCCCCCCCOc1cc(C)ccc1C(N)=NO
InChIInChI=1S/C16H26N2O2/c1-3-4-5-6-7-8-11-20-15-12-13(2)9-10-14(15)16(17)18-19/h9-10,12,19H,3-8,11H2,1-2H3,(H2,17,18)
InChIKeyYHHSNYZOXHVUNF-UHFFFAOYSA-N
XLogP3.83
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide
CID 76938735
2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930175
1-(2-hexoxy-4-methylphenyl)ethanone
CID 60778715
2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 115505551
2-bromo-4-heptoxy-N'-hydroxybenzenecarboximidamide
CID 107278949
5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide
CID 76944556
(NE)-N-[1-(2-hexadecoxy-5-methylphenyl)ethylidene]hydroxylamine
CID 98298024
4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 54933357
2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939071
N'-hydroxy-4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 55056871
4-methyl-2-tetradecoxyphenol
CID 19014152
2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916332

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide (CID 76999670) is N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide is CCCCCCCCOc1cc(C)ccc1C(N)=NO.
What is the InChIKey of N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide?
The InChIKey is YHHSNYZOXHVUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-4-5-6-7-8-11-20-15-12-13(2)9-10-14(15)16(17)18-19/h9-10,12,19H,3-8,11H2,1-2H3,(H2,17,18).
What are the key properties of N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide?
N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide has a molecular weight of 278.40 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide is sourced from PubChem (CID 76999670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).