N-hydroxy-7-oxo-7-phenylheptanamide

C13H17NO3 — CID 10998964

IUPACN-hydroxy-7-oxo-7-phenylheptanamide
SMILESO=C(CCCCCC(=O)c1ccccc1)NO
InChIInChI=1S/C13H17NO3/c15-12(11-7-3-1-4-8-11)9-5-2-6-10-13(16)14-17/h1,3-4,7-8,17H,2,5-6,9-10H2,(H,14,16)
InChIKeyIHUNPXAEVKBAPH-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.33
Rot. Bonds7

About N-hydroxy-7-oxo-7-phenylheptanamide

N-hydroxy-7-oxo-7-phenylheptanamide (PubChem CID 10998964) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-hydroxy-7-oxo-7-phenylheptanamide.

Molecular Properties

Compound NameN-hydroxy-7-oxo-7-phenylheptanamide
PubChem CID10998964
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-hydroxy-7-oxo-7-phenylheptanamide
SMILESO=C(CCCCCC(=O)c1ccccc1)NO
InChIInChI=1S/C13H17NO3/c15-12(11-7-3-1-4-8-11)9-5-2-6-10-13(16)14-17/h1,3-4,7-8,17H,2,5-6,9-10H2,(H,14,16)
InChIKeyIHUNPXAEVKBAPH-UHFFFAOYSA-N
XLogP2.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.33
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-oxo-7-phenylheptanamide?
The IUPAC name of N-hydroxy-7-oxo-7-phenylheptanamide (CID 10998964) is N-hydroxy-7-oxo-7-phenylheptanamide.
What is the SMILES notation for N-hydroxy-7-oxo-7-phenylheptanamide?
The canonical SMILES for N-hydroxy-7-oxo-7-phenylheptanamide is O=C(CCCCCC(=O)c1ccccc1)NO.
What is the InChIKey of N-hydroxy-7-oxo-7-phenylheptanamide?
The InChIKey is IHUNPXAEVKBAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-12(11-7-3-1-4-8-11)9-5-2-6-10-13(16)14-17/h1,3-4,7-8,17H,2,5-6,9-10H2,(H,14,16).
What are the key properties of N-hydroxy-7-oxo-7-phenylheptanamide?
N-hydroxy-7-oxo-7-phenylheptanamide has a molecular weight of 235.28 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-oxo-7-phenylheptanamide is sourced from PubChem (CID 10998964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).