N-hydroxy-9-[4-(3-phenylphenyl)triazol-1-yl]nonanamide

C23H28N4O2 — CID 46229560

IUPACN-hydroxy-9-[4-(3-phenylphenyl)triazol-1-yl]nonanamide
SMILESO=C(CCCCCCCCn1cc(-c2cccc(-c3ccccc3)c2)nn1)NO
InChIInChI=1S/C23H28N4O2/c28-23(25-29)15-8-3-1-2-4-9-16-27-18-22(24-26-27)21-14-10-13-20(17-21)19-11-6-5-7-12-19/h5-7,10-14,17-18,29H,1-4,8-9,15-16H2,(H,25,28)
InChIKeyRTJPNOWZBVXACQ-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.85
Rot. Bonds11

About N-hydroxy-9-[4-(3-phenylphenyl)triazol-1-yl]nonanamide

N-hydroxy-9-[4-(3-phenylphenyl)triazol-1-yl]nonanamide (PubChem CID 46229560) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-hydroxy-9-[4-(3-phenylphenyl)triazol-1-yl]nonanamide.

Molecular Properties

Compound NameN-hydroxy-9-[4-(3-phenylphenyl)triazol-1-yl]nonanamide
PubChem CID46229560
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-hydroxy-9-[4-(3-phenylphenyl)triazol-1-yl]nonanamide
SMILESO=C(CCCCCCCCn1cc(-c2cccc(-c3ccccc3)c2)nn1)NO
InChIInChI=1S/C23H28N4O2/c28-23(25-29)15-8-3-1-2-4-9-16-27-18-22(24-26-27)21-14-10-13-20(17-21)19-11-6-5-7-12-19/h5-7,10-14,17-18,29H,1-4,8-9,15-16H2,(H,25,28)
InChIKeyRTJPNOWZBVXACQ-UHFFFAOYSA-N
XLogP4.85
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.85
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-9-[4-(3-phenylphenyl)triazol-1-yl]nonanamide?
The IUPAC name of N-hydroxy-9-[4-(3-phenylphenyl)triazol-1-yl]nonanamide (CID 46229560) is N-hydroxy-9-[4-(3-phenylphenyl)triazol-1-yl]nonanamide.
What is the SMILES notation for N-hydroxy-9-[4-(3-phenylphenyl)triazol-1-yl]nonanamide?
The canonical SMILES for N-hydroxy-9-[4-(3-phenylphenyl)triazol-1-yl]nonanamide is O=C(CCCCCCCCn1cc(-c2cccc(-c3ccccc3)c2)nn1)NO.
What is the InChIKey of N-hydroxy-9-[4-(3-phenylphenyl)triazol-1-yl]nonanamide?
The InChIKey is RTJPNOWZBVXACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-23(25-29)15-8-3-1-2-4-9-16-27-18-22(24-26-27)21-14-10-13-20(17-21)19-11-6-5-7-12-19/h5-7,10-14,17-18,29H,1-4,8-9,15-16H2,(H,25,28).
What are the key properties of N-hydroxy-9-[4-(3-phenylphenyl)triazol-1-yl]nonanamide?
N-hydroxy-9-[4-(3-phenylphenyl)triazol-1-yl]nonanamide has a molecular weight of 392.50 g/mol, XLogP of 4.85, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-9-[4-(3-phenylphenyl)triazol-1-yl]nonanamide is sourced from PubChem (CID 46229560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).