N-hydroxy-6-oxo-6-phenylhexanamide

C12H15NO3 — CID 11031415

IUPACN-hydroxy-6-oxo-6-phenylhexanamide
SMILESO=C(CCCCC(=O)c1ccccc1)NO
InChIInChI=1S/C12H15NO3/c14-11(10-6-2-1-3-7-10)8-4-5-9-12(15)13-16/h1-3,6-7,16H,4-5,8-9H2,(H,13,15)
InChIKeyXCXZDISEAMNYJL-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.94
Rot. Bonds6

About N-hydroxy-6-oxo-6-phenylhexanamide

N-hydroxy-6-oxo-6-phenylhexanamide (PubChem CID 11031415) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-hydroxy-6-oxo-6-phenylhexanamide.

Molecular Properties

Compound NameN-hydroxy-6-oxo-6-phenylhexanamide
PubChem CID11031415
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-hydroxy-6-oxo-6-phenylhexanamide
SMILESO=C(CCCCC(=O)c1ccccc1)NO
InChIInChI=1S/C12H15NO3/c14-11(10-6-2-1-3-7-10)8-4-5-9-12(15)13-16/h1-3,6-7,16H,4-5,8-9H2,(H,13,15)
InChIKeyXCXZDISEAMNYJL-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.94
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-6-oxo-6-phenylhexanamide?
The IUPAC name of N-hydroxy-6-oxo-6-phenylhexanamide (CID 11031415) is N-hydroxy-6-oxo-6-phenylhexanamide.
What is the SMILES notation for N-hydroxy-6-oxo-6-phenylhexanamide?
The canonical SMILES for N-hydroxy-6-oxo-6-phenylhexanamide is O=C(CCCCC(=O)c1ccccc1)NO.
What is the InChIKey of N-hydroxy-6-oxo-6-phenylhexanamide?
The InChIKey is XCXZDISEAMNYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-11(10-6-2-1-3-7-10)8-4-5-9-12(15)13-16/h1-3,6-7,16H,4-5,8-9H2,(H,13,15).
What are the key properties of N-hydroxy-6-oxo-6-phenylhexanamide?
N-hydroxy-6-oxo-6-phenylhexanamide has a molecular weight of 221.26 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-oxo-6-phenylhexanamide is sourced from PubChem (CID 11031415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).