N-hydroxy-9-(4-phenyltriazol-1-yl)nonanamide

C17H24N4O2 — CID 46229700

IUPACN-hydroxy-9-(4-phenyltriazol-1-yl)nonanamide
SMILESO=C(CCCCCCCCn1cc(-c2ccccc2)nn1)NO
InChIInChI=1S/C17H24N4O2/c22-17(19-23)12-8-3-1-2-4-9-13-21-14-16(18-20-21)15-10-6-5-7-11-15/h5-7,10-11,14,23H,1-4,8-9,12-13H2,(H,19,22)
InChIKeyLMRTUGRTNCWSFJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.18
Rot. Bonds10

About N-hydroxy-9-(4-phenyltriazol-1-yl)nonanamide

N-hydroxy-9-(4-phenyltriazol-1-yl)nonanamide (PubChem CID 46229700) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-hydroxy-9-(4-phenyltriazol-1-yl)nonanamide.

Molecular Properties

Compound NameN-hydroxy-9-(4-phenyltriazol-1-yl)nonanamide
PubChem CID46229700
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-hydroxy-9-(4-phenyltriazol-1-yl)nonanamide
SMILESO=C(CCCCCCCCn1cc(-c2ccccc2)nn1)NO
InChIInChI=1S/C17H24N4O2/c22-17(19-23)12-8-3-1-2-4-9-13-21-14-16(18-20-21)15-10-6-5-7-11-15/h5-7,10-11,14,23H,1-4,8-9,12-13H2,(H,19,22)
InChIKeyLMRTUGRTNCWSFJ-UHFFFAOYSA-N
XLogP3.18
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.18
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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Related Compounds

Triazole Ligand, 6a
CID 24881257
Triazole Ligand, 6b
CID 24881328
FNDR-20123 free base
CID 50991199
(E)-3-(1-Cinnamyl-1H-1,2,3-triazol-4-yl)-N-hydroxyacrylamide
CID 135903324
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenyltriazol-1-yl)butanamide
CID 66559223
(S)-2-(5-(Cyclopropylethynyl)-4-phenyl-1H-1,2,3-triazol-1-yl)-N-hydroxy-3-phenylpropanamide
CID 76853213
Triazole Ligand, 10a
CID 24881330
Triazole Ligand, 10c
CID 24881331
Triazole Ligand, 12b
CID 24881332
Triazole Ligand, 14a
CID 24881402
Triazole Ligand, 14c
CID 24881403
Triazole Ligand, 6c
CID 24881404

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-9-(4-phenyltriazol-1-yl)nonanamide?
The IUPAC name of N-hydroxy-9-(4-phenyltriazol-1-yl)nonanamide (CID 46229700) is N-hydroxy-9-(4-phenyltriazol-1-yl)nonanamide.
What is the SMILES notation for N-hydroxy-9-(4-phenyltriazol-1-yl)nonanamide?
The canonical SMILES for N-hydroxy-9-(4-phenyltriazol-1-yl)nonanamide is O=C(CCCCCCCCn1cc(-c2ccccc2)nn1)NO.
What is the InChIKey of N-hydroxy-9-(4-phenyltriazol-1-yl)nonanamide?
The InChIKey is LMRTUGRTNCWSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-17(19-23)12-8-3-1-2-4-9-13-21-14-16(18-20-21)15-10-6-5-7-11-15/h5-7,10-11,14,23H,1-4,8-9,12-13H2,(H,19,22).
What are the key properties of N-hydroxy-9-(4-phenyltriazol-1-yl)nonanamide?
N-hydroxy-9-(4-phenyltriazol-1-yl)nonanamide has a molecular weight of 316.40 g/mol, XLogP of 3.18, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-9-(4-phenyltriazol-1-yl)nonanamide is sourced from PubChem (CID 46229700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).