N-hydroxy-7-(4-methoxyphenyl)-7-oxoheptanamide

C14H19NO4 — CID 10858374

IUPACN-hydroxy-7-(4-methoxyphenyl)-7-oxoheptanamide
SMILESCOc1ccc(C(=O)CCCCCC(=O)NO)cc1
InChIInChI=1S/C14H19NO4/c1-19-12-9-7-11(8-10-12)13(16)5-3-2-4-6-14(17)15-18/h7-10,18H,2-6H2,1H3,(H,15,17)
InChIKeyNIGGAQZXTHMKPL-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.33
Rot. Bonds8

About N-hydroxy-7-(4-methoxyphenyl)-7-oxoheptanamide

N-hydroxy-7-(4-methoxyphenyl)-7-oxoheptanamide (PubChem CID 10858374) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-hydroxy-7-(4-methoxyphenyl)-7-oxoheptanamide.

Molecular Properties

Compound NameN-hydroxy-7-(4-methoxyphenyl)-7-oxoheptanamide
PubChem CID10858374
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-hydroxy-7-(4-methoxyphenyl)-7-oxoheptanamide
SMILESCOc1ccc(C(=O)CCCCCC(=O)NO)cc1
InChIInChI=1S/C14H19NO4/c1-19-12-9-7-11(8-10-12)13(16)5-3-2-4-6-14(17)15-18/h7-10,18H,2-6H2,1H3,(H,15,17)
InChIKeyNIGGAQZXTHMKPL-UHFFFAOYSA-N
XLogP2.33
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.33
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-7-(4-methoxyphenyl)-7-oxoheptanamide?
The IUPAC name of N-hydroxy-7-(4-methoxyphenyl)-7-oxoheptanamide (CID 10858374) is N-hydroxy-7-(4-methoxyphenyl)-7-oxoheptanamide.
What is the SMILES notation for N-hydroxy-7-(4-methoxyphenyl)-7-oxoheptanamide?
The canonical SMILES for N-hydroxy-7-(4-methoxyphenyl)-7-oxoheptanamide is COc1ccc(C(=O)CCCCCC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-7-(4-methoxyphenyl)-7-oxoheptanamide?
The InChIKey is NIGGAQZXTHMKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-19-12-9-7-11(8-10-12)13(16)5-3-2-4-6-14(17)15-18/h7-10,18H,2-6H2,1H3,(H,15,17).
What are the key properties of N-hydroxy-7-(4-methoxyphenyl)-7-oxoheptanamide?
N-hydroxy-7-(4-methoxyphenyl)-7-oxoheptanamide has a molecular weight of 265.31 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-(4-methoxyphenyl)-7-oxoheptanamide is sourced from PubChem (CID 10858374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).