(2S)-N-hydroxy-4-methyl-2-[[1-(4-methylphenyl)triazol-4-yl]methylcarbamoylamino]pentanamide

C17H24N6O3 — CID 155514535

IUPAC(2S)-N-hydroxy-4-methyl-2-[[1-(4-methylphenyl)triazol-4-yl]methylcarbamoylamino]pentanamide
SMILESCc1ccc(-n2cc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)nn2)cc1
InChIInChI=1S/C17H24N6O3/c1-11(2)8-15(16(24)21-26)19-17(25)18-9-13-10-23(22-20-13)14-6-4-12(3)5-7-14/h4-7,10-11,15,26H,8-9H2,1-3H3,(H,21,24)(H2,18,19,25)/t15-/m0/s1
InChIKeyLQPCHNUWQHAWCI-HNNXBMFYSA-N
MW360.42 g/mol
LogP1.30
Rot. Bonds7

About (2S)-N-hydroxy-4-methyl-2-[[1-(4-methylphenyl)triazol-4-yl]methylcarbamoylamino]pentanamide

(2S)-N-hydroxy-4-methyl-2-[[1-(4-methylphenyl)triazol-4-yl]methylcarbamoylamino]pentanamide (PubChem CID 155514535) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is (2S)-N-hydroxy-4-methyl-2-[[1-(4-methylphenyl)triazol-4-yl]methylcarbamoylamino]pentanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-4-methyl-2-[[1-(4-methylphenyl)triazol-4-yl]methylcarbamoylamino]pentanamide
PubChem CID155514535
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Name(2S)-N-hydroxy-4-methyl-2-[[1-(4-methylphenyl)triazol-4-yl]methylcarbamoylamino]pentanamide
SMILESCc1ccc(-n2cc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)nn2)cc1
InChIInChI=1S/C17H24N6O3/c1-11(2)8-15(16(24)21-26)19-17(25)18-9-13-10-23(22-20-13)14-6-4-12(3)5-7-14/h4-7,10-11,15,26H,8-9H2,1-3H3,(H,21,24)(H2,18,19,25)/t15-/m0/s1
InChIKeyLQPCHNUWQHAWCI-HNNXBMFYSA-N
XLogP1.30
TPSA121.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 (2S)-N-hydroxy-4-methyl-2-[[1-(4-methylphenyl)triazol-4-yl]methylcarbamoylamino]pentanamide?
The IUPAC name of (2S)-N-hydroxy-4-methyl-2-[[1-(4-methylphenyl)triazol-4-yl]methylcarbamoylamino]pentanamide (CID 155514535) is (2S)-N-hydroxy-4-methyl-2-[[1-(4-methylphenyl)triazol-4-yl]methylcarbamoylamino]pentanamide.
What is the SMILES notation for (2S)-N-hydroxy-4-methyl-2-[[1-(4-methylphenyl)triazol-4-yl]methylcarbamoylamino]pentanamide?
The canonical SMILES for (2S)-N-hydroxy-4-methyl-2-[[1-(4-methylphenyl)triazol-4-yl]methylcarbamoylamino]pentanamide is Cc1ccc(-n2cc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)nn2)cc1.
What is the InChIKey of (2S)-N-hydroxy-4-methyl-2-[[1-(4-methylphenyl)triazol-4-yl]methylcarbamoylamino]pentanamide?
The InChIKey is LQPCHNUWQHAWCI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-11(2)8-15(16(24)21-26)19-17(25)18-9-13-10-23(22-20-13)14-6-4-12(3)5-7-14/h4-7,10-11,15,26H,8-9H2,1-3H3,(H,21,24)(H2,18,19,25)/t15-/m0/s1.
What are the key properties of (2S)-N-hydroxy-4-methyl-2-[[1-(4-methylphenyl)triazol-4-yl]methylcarbamoylamino]pentanamide?
(2S)-N-hydroxy-4-methyl-2-[[1-(4-methylphenyl)triazol-4-yl]methylcarbamoylamino]pentanamide has a molecular weight of 360.42 g/mol, XLogP of 1.30, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-4-methyl-2-[[1-(4-methylphenyl)triazol-4-yl]methylcarbamoylamino]pentanamide is sourced from PubChem (CID 155514535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).