N-hydroxy-8-(4-phenyltriazol-1-yl)octanamide

C16H22N4O2 — CID 25068424

IUPACN-hydroxy-8-(4-phenyltriazol-1-yl)octanamide
SMILESO=C(CCCCCCCn1cc(-c2ccccc2)nn1)NO
InChIInChI=1S/C16H22N4O2/c21-16(18-22)11-7-2-1-3-8-12-20-13-15(17-19-20)14-9-5-4-6-10-14/h4-6,9-10,13,22H,1-3,7-8,11-12H2,(H,18,21)
InChIKeyBINBEBYLQADFMB-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.79
Rot. Bonds9

About N-hydroxy-8-(4-phenyltriazol-1-yl)octanamide

N-hydroxy-8-(4-phenyltriazol-1-yl)octanamide (PubChem CID 25068424) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-hydroxy-8-(4-phenyltriazol-1-yl)octanamide.

Molecular Properties

Compound NameN-hydroxy-8-(4-phenyltriazol-1-yl)octanamide
PubChem CID25068424
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-hydroxy-8-(4-phenyltriazol-1-yl)octanamide
SMILESO=C(CCCCCCCn1cc(-c2ccccc2)nn1)NO
InChIInChI=1S/C16H22N4O2/c21-16(18-22)11-7-2-1-3-8-12-20-13-15(17-19-20)14-9-5-4-6-10-14/h4-6,9-10,13,22H,1-3,7-8,11-12H2,(H,18,21)
InChIKeyBINBEBYLQADFMB-UHFFFAOYSA-N
XLogP2.79
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-phenyltriazol-1-yl)octanamide?
The IUPAC name of N-hydroxy-8-(4-phenyltriazol-1-yl)octanamide (CID 25068424) is N-hydroxy-8-(4-phenyltriazol-1-yl)octanamide.
What is the SMILES notation for N-hydroxy-8-(4-phenyltriazol-1-yl)octanamide?
The canonical SMILES for N-hydroxy-8-(4-phenyltriazol-1-yl)octanamide is O=C(CCCCCCCn1cc(-c2ccccc2)nn1)NO.
What is the InChIKey of N-hydroxy-8-(4-phenyltriazol-1-yl)octanamide?
The InChIKey is BINBEBYLQADFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-16(18-22)11-7-2-1-3-8-12-20-13-15(17-19-20)14-9-5-4-6-10-14/h4-6,9-10,13,22H,1-3,7-8,11-12H2,(H,18,21).
What are the key properties of N-hydroxy-8-(4-phenyltriazol-1-yl)octanamide?
N-hydroxy-8-(4-phenyltriazol-1-yl)octanamide has a molecular weight of 302.38 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-(4-phenyltriazol-1-yl)octanamide is sourced from PubChem (CID 25068424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).