N-hydroxy-6,6-dimethyl-7-(4-methylphenyl)-7-oxoheptanamide

C16H23NO3 — CID 58982163

IUPACN-hydroxy-6,6-dimethyl-7-(4-methylphenyl)-7-oxoheptanamide
SMILESCc1ccc(C(=O)C(C)(C)CCCCC(=O)NO)cc1
InChIInChI=1S/C16H23NO3/c1-12-7-9-13(10-8-12)15(19)16(2,3)11-5-4-6-14(18)17-20/h7-10,20H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyGXGYUSFBLKAFOX-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.27
Rot. Bonds7

About N-hydroxy-6,6-dimethyl-7-(4-methylphenyl)-7-oxoheptanamide

N-hydroxy-6,6-dimethyl-7-(4-methylphenyl)-7-oxoheptanamide (PubChem CID 58982163) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-hydroxy-6,6-dimethyl-7-(4-methylphenyl)-7-oxoheptanamide.

Molecular Properties

Compound NameN-hydroxy-6,6-dimethyl-7-(4-methylphenyl)-7-oxoheptanamide
PubChem CID58982163
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-hydroxy-6,6-dimethyl-7-(4-methylphenyl)-7-oxoheptanamide
SMILESCc1ccc(C(=O)C(C)(C)CCCCC(=O)NO)cc1
InChIInChI=1S/C16H23NO3/c1-12-7-9-13(10-8-12)15(19)16(2,3)11-5-4-6-14(18)17-20/h7-10,20H,4-6,11H2,1-3H3,(H,17,18)
InChIKeyGXGYUSFBLKAFOX-UHFFFAOYSA-N
XLogP3.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.27
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-6,6-dimethyl-7-(4-methylphenyl)-7-oxoheptanamide?
The IUPAC name of N-hydroxy-6,6-dimethyl-7-(4-methylphenyl)-7-oxoheptanamide (CID 58982163) is N-hydroxy-6,6-dimethyl-7-(4-methylphenyl)-7-oxoheptanamide.
What is the SMILES notation for N-hydroxy-6,6-dimethyl-7-(4-methylphenyl)-7-oxoheptanamide?
The canonical SMILES for N-hydroxy-6,6-dimethyl-7-(4-methylphenyl)-7-oxoheptanamide is Cc1ccc(C(=O)C(C)(C)CCCCC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-6,6-dimethyl-7-(4-methylphenyl)-7-oxoheptanamide?
The InChIKey is GXGYUSFBLKAFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-7-9-13(10-8-12)15(19)16(2,3)11-5-4-6-14(18)17-20/h7-10,20H,4-6,11H2,1-3H3,(H,17,18).
What are the key properties of N-hydroxy-6,6-dimethyl-7-(4-methylphenyl)-7-oxoheptanamide?
N-hydroxy-6,6-dimethyl-7-(4-methylphenyl)-7-oxoheptanamide has a molecular weight of 277.36 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6,6-dimethyl-7-(4-methylphenyl)-7-oxoheptanamide is sourced from PubChem (CID 58982163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).