N-hydroxy-8-(4-methoxyphenyl)-8-oxooctanamide

C15H21NO4 — CID 10923922

IUPACN-hydroxy-8-(4-methoxyphenyl)-8-oxooctanamide
SMILESCOc1ccc(C(=O)CCCCCCC(=O)NO)cc1
InChIInChI=1S/C15H21NO4/c1-20-13-10-8-12(9-11-13)14(17)6-4-2-3-5-7-15(18)16-19/h8-11,19H,2-7H2,1H3,(H,16,18)
InChIKeyLIOTZVIDBXLBAC-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.72
Rot. Bonds9

About N-hydroxy-8-(4-methoxyphenyl)-8-oxooctanamide

N-hydroxy-8-(4-methoxyphenyl)-8-oxooctanamide (PubChem CID 10923922) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-hydroxy-8-(4-methoxyphenyl)-8-oxooctanamide.

Molecular Properties

Compound NameN-hydroxy-8-(4-methoxyphenyl)-8-oxooctanamide
PubChem CID10923922
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-hydroxy-8-(4-methoxyphenyl)-8-oxooctanamide
SMILESCOc1ccc(C(=O)CCCCCCC(=O)NO)cc1
InChIInChI=1S/C15H21NO4/c1-20-13-10-8-12(9-11-13)14(17)6-4-2-3-5-7-15(18)16-19/h8-11,19H,2-7H2,1H3,(H,16,18)
InChIKeyLIOTZVIDBXLBAC-UHFFFAOYSA-N
XLogP2.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-8-(4-methoxyphenyl)-8-oxooctanamide?
The IUPAC name of N-hydroxy-8-(4-methoxyphenyl)-8-oxooctanamide (CID 10923922) is N-hydroxy-8-(4-methoxyphenyl)-8-oxooctanamide.
What is the SMILES notation for N-hydroxy-8-(4-methoxyphenyl)-8-oxooctanamide?
The canonical SMILES for N-hydroxy-8-(4-methoxyphenyl)-8-oxooctanamide is COc1ccc(C(=O)CCCCCCC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-8-(4-methoxyphenyl)-8-oxooctanamide?
The InChIKey is LIOTZVIDBXLBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-20-13-10-8-12(9-11-13)14(17)6-4-2-3-5-7-15(18)16-19/h8-11,19H,2-7H2,1H3,(H,16,18).
What are the key properties of N-hydroxy-8-(4-methoxyphenyl)-8-oxooctanamide?
N-hydroxy-8-(4-methoxyphenyl)-8-oxooctanamide has a molecular weight of 279.34 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-(4-methoxyphenyl)-8-oxooctanamide is sourced from PubChem (CID 10923922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).