N-hydroxy-7-(4-phenyltriazol-1-yl)heptanamide

C15H20N4O2 — CID 25014637

IUPACN-hydroxy-7-(4-phenyltriazol-1-yl)heptanamide
SMILESO=C(CCCCCCn1cc(-c2ccccc2)nn1)NO
InChIInChI=1S/C15H20N4O2/c20-15(17-21)10-6-1-2-7-11-19-12-14(16-18-19)13-8-4-3-5-9-13/h3-5,8-9,12,21H,1-2,6-7,10-11H2,(H,17,20)
InChIKeyXLYWAZNXULUIKN-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.40
Rot. Bonds8

About N-hydroxy-7-(4-phenyltriazol-1-yl)heptanamide

N-hydroxy-7-(4-phenyltriazol-1-yl)heptanamide (PubChem CID 25014637) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-hydroxy-7-(4-phenyltriazol-1-yl)heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-(4-phenyltriazol-1-yl)heptanamide
PubChem CID25014637
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-hydroxy-7-(4-phenyltriazol-1-yl)heptanamide
SMILESO=C(CCCCCCn1cc(-c2ccccc2)nn1)NO
InChIInChI=1S/C15H20N4O2/c20-15(17-21)10-6-1-2-7-11-19-12-14(16-18-19)13-8-4-3-5-9-13/h3-5,8-9,12,21H,1-2,6-7,10-11H2,(H,17,20)
InChIKeyXLYWAZNXULUIKN-UHFFFAOYSA-N
XLogP2.40
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.40
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-7-(4-phenyltriazol-1-yl)heptanamide?
The IUPAC name of N-hydroxy-7-(4-phenyltriazol-1-yl)heptanamide (CID 25014637) is N-hydroxy-7-(4-phenyltriazol-1-yl)heptanamide.
What is the SMILES notation for N-hydroxy-7-(4-phenyltriazol-1-yl)heptanamide?
The canonical SMILES for N-hydroxy-7-(4-phenyltriazol-1-yl)heptanamide is O=C(CCCCCCn1cc(-c2ccccc2)nn1)NO.
What is the InChIKey of N-hydroxy-7-(4-phenyltriazol-1-yl)heptanamide?
The InChIKey is XLYWAZNXULUIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-15(17-21)10-6-1-2-7-11-19-12-14(16-18-19)13-8-4-3-5-9-13/h3-5,8-9,12,21H,1-2,6-7,10-11H2,(H,17,20).
What are the key properties of N-hydroxy-7-(4-phenyltriazol-1-yl)heptanamide?
N-hydroxy-7-(4-phenyltriazol-1-yl)heptanamide has a molecular weight of 288.35 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-(4-phenyltriazol-1-yl)heptanamide is sourced from PubChem (CID 25014637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).