N-hydroxy-7-naphthalen-2-yloxyheptanamide

C17H21NO3 — CID 16655084

IUPACN-hydroxy-7-naphthalen-2-yloxyheptanamide
SMILESO=C(CCCCCCOc1ccc2ccccc2c1)NO
InChIInChI=1S/C17H21NO3/c19-17(18-20)9-3-1-2-6-12-21-16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,20H,1-3,6,9,12H2,(H,18,19)
InChIKeyKSNWLAUWIDTBGS-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.67
Rot. Bonds8

About N-hydroxy-7-naphthalen-2-yloxyheptanamide

N-hydroxy-7-naphthalen-2-yloxyheptanamide (PubChem CID 16655084) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-hydroxy-7-naphthalen-2-yloxyheptanamide.

Molecular Properties

Compound NameN-hydroxy-7-naphthalen-2-yloxyheptanamide
PubChem CID16655084
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-hydroxy-7-naphthalen-2-yloxyheptanamide
SMILESO=C(CCCCCCOc1ccc2ccccc2c1)NO
InChIInChI=1S/C17H21NO3/c19-17(18-20)9-3-1-2-6-12-21-16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,20H,1-3,6,9,12H2,(H,18,19)
InChIKeyKSNWLAUWIDTBGS-UHFFFAOYSA-N
XLogP3.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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-7-naphthalen-2-yloxyheptanamide?
The IUPAC name of N-hydroxy-7-naphthalen-2-yloxyheptanamide (CID 16655084) is N-hydroxy-7-naphthalen-2-yloxyheptanamide.
What is the SMILES notation for N-hydroxy-7-naphthalen-2-yloxyheptanamide?
The canonical SMILES for N-hydroxy-7-naphthalen-2-yloxyheptanamide is O=C(CCCCCCOc1ccc2ccccc2c1)NO.
What is the InChIKey of N-hydroxy-7-naphthalen-2-yloxyheptanamide?
The InChIKey is KSNWLAUWIDTBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-17(18-20)9-3-1-2-6-12-21-16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,20H,1-3,6,9,12H2,(H,18,19).
What are the key properties of N-hydroxy-7-naphthalen-2-yloxyheptanamide?
N-hydroxy-7-naphthalen-2-yloxyheptanamide has a molecular weight of 287.36 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-naphthalen-2-yloxyheptanamide is sourced from PubChem (CID 16655084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).