4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide

C15H24N2O2 — CID 54933357

IUPAC4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCCCCCCCOc1ccc(/C(N)=N/O)cc1C
InChIInChI=1S/C15H24N2O2/c1-3-4-5-6-7-10-19-14-9-8-13(11-12(14)2)15(16)17-18/h8-9,11,18H,3-7,10H2,1-2H3,(H2,16,17)
InChIKeyXTCLBTVYZSOGPF-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.44
Rot. Bonds8

About 4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide

4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 54933357) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID54933357
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCCCCCCCOc1ccc(/C(N)=N/O)cc1C
InChIInChI=1S/C15H24N2O2/c1-3-4-5-6-7-10-19-14-9-8-13(11-12(14)2)15(16)17-18/h8-9,11,18H,3-7,10H2,1-2H3,(H2,16,17)
InChIKeyXTCLBTVYZSOGPF-UHFFFAOYSA-N
XLogP3.44
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.44
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

4-ethoxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 60929088
3-decoxy-N'-hydroxybenzenecarboximidamide
CID 76997791
N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide
CID 76999670
4-(2-butoxyethoxy)-3-ethoxy-N'-hydroxybenzenecarboximidamide
CID 76905016
5-chloro-2-heptoxy-N'-hydroxybenzenecarboximidamide
CID 76944556
4-butoxy-3-methylbenzenecarboximidamide
CID 60929965
formonitrile;4-heptoxy-N'-hydroxybenzenecarboximidamide;1-heptoxy-4-methylbenzene
CID 172920699
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
3-ethoxy-4-(3-ethoxypropoxy)-N'-hydroxybenzenecarboximidamide
CID 77058145
4-cyclobutyloxy-N'-hydroxy-3-methylbenzenecarboximidamide
CID 76936695
N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide
CID 114483267
3,5-difluoro-4-hexoxy-N'-hydroxybenzenecarboximidamide
CID 81285934

Frequently Asked Questions

What is the IUPAC name of 4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide (CID 54933357) is 4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide is CCCCCCCOc1ccc(/C(N)=N/O)cc1C.
What is the InChIKey of 4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is XTCLBTVYZSOGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-4-5-6-7-10-19-14-9-8-13(11-12(14)2)15(16)17-18/h8-9,11,18H,3-7,10H2,1-2H3,(H2,16,17).
What are the key properties of 4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide?
4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 264.37 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptoxy-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 54933357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).