N'-hydroxy-4-naphthalen-1-yloxybutanimidamide

C14H16N2O2 — CID 24692067

IUPACN'-hydroxy-4-naphthalen-1-yloxybutanimidamide
SMILESN/C(CCCOc1cccc2ccccc12)=N\O
InChIInChI=1S/C14H16N2O2/c15-14(16-17)9-4-10-18-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,17H,4,9-10H2,(H2,15,16)
InChIKeyUDCGHGNFBFOUPQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.75
Rot. Bonds5

About N'-hydroxy-4-naphthalen-1-yloxybutanimidamide

N'-hydroxy-4-naphthalen-1-yloxybutanimidamide (PubChem CID 24692067) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N'-hydroxy-4-naphthalen-1-yloxybutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-naphthalen-1-yloxybutanimidamide
PubChem CID24692067
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN'-hydroxy-4-naphthalen-1-yloxybutanimidamide
SMILESN/C(CCCOc1cccc2ccccc12)=N\O
InChIInChI=1S/C14H16N2O2/c15-14(16-17)9-4-10-18-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,17H,4,9-10H2,(H2,15,16)
InChIKeyUDCGHGNFBFOUPQ-UHFFFAOYSA-N
XLogP2.75
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.75
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-naphthalen-1-yloxybutanimidamide?
The IUPAC name of N'-hydroxy-4-naphthalen-1-yloxybutanimidamide (CID 24692067) is N'-hydroxy-4-naphthalen-1-yloxybutanimidamide.
What is the SMILES notation for N'-hydroxy-4-naphthalen-1-yloxybutanimidamide?
The canonical SMILES for N'-hydroxy-4-naphthalen-1-yloxybutanimidamide is N/C(CCCOc1cccc2ccccc12)=N\O.
What is the InChIKey of N'-hydroxy-4-naphthalen-1-yloxybutanimidamide?
The InChIKey is UDCGHGNFBFOUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-14(16-17)9-4-10-18-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,17H,4,9-10H2,(H2,15,16).
What are the key properties of N'-hydroxy-4-naphthalen-1-yloxybutanimidamide?
N'-hydroxy-4-naphthalen-1-yloxybutanimidamide has a molecular weight of 244.29 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-naphthalen-1-yloxybutanimidamide is sourced from PubChem (CID 24692067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).