(2S)-N-hydroxy-2-[[1-(4-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide

C17H24N6O4 — CID 155524942

IUPAC(2S)-N-hydroxy-2-[[1-(4-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
SMILESCOc1ccc(-n2cc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)nn2)cc1
InChIInChI=1S/C17H24N6O4/c1-11(2)8-15(16(24)21-26)19-17(25)18-9-12-10-23(22-20-12)13-4-6-14(27-3)7-5-13/h4-7,10-11,15,26H,8-9H2,1-3H3,(H,21,24)(H2,18,19,25)/t15-/m0/s1
InChIKeyPQHDXFBZUNFPHC-HNNXBMFYSA-N
MW376.42 g/mol
LogP1.00
Rot. Bonds8

About (2S)-N-hydroxy-2-[[1-(4-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide

(2S)-N-hydroxy-2-[[1-(4-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide (PubChem CID 155524942) has the molecular formula C17H24N6O4 and a molecular weight of 376.42 g/mol. Its IUPAC name is (2S)-N-hydroxy-2-[[1-(4-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-2-[[1-(4-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
PubChem CID155524942
Molecular FormulaC17H24N6O4
Molecular Weight376.42 g/mol
Exact Mass376.19
IUPAC Name(2S)-N-hydroxy-2-[[1-(4-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
SMILESCOc1ccc(-n2cc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)nn2)cc1
InChIInChI=1S/C17H24N6O4/c1-11(2)8-15(16(24)21-26)19-17(25)18-9-12-10-23(22-20-12)13-4-6-14(27-3)7-5-13/h4-7,10-11,15,26H,8-9H2,1-3H3,(H,21,24)(H2,18,19,25)/t15-/m0/s1
InChIKeyPQHDXFBZUNFPHC-HNNXBMFYSA-N
XLogP1.00
TPSA130.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-N-hydroxy-2-[[1-(4-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[4-[[[(2S)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]carbamoylamino]methyl]triazol-1-yl]phenyl]methyl acetate
CID 155532166
(2S)-N-hydroxy-4-methyl-2-[[1-[(2-phenylmethoxyphenyl)methyl]triazol-4-yl]methylcarbamoylamino]pentanamide
CID 145952863
(2S)-N-hydroxy-4-methyl-2-[[1-[(3-phenylmethoxyphenyl)methyl]triazol-4-yl]methylcarbamoylamino]pentanamide
CID 145955648
(2S)-2-[[1-[(2,6-dimethoxyphenyl)methyl]triazol-4-yl]methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
CID 145960459
(2S)-N-hydroxy-2-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
CID 145960658
(2S)-2-[[1-[(3-ethoxyphenyl)methyl]triazol-4-yl]methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
CID 145960669
(2S)-N-hydroxy-2-[[1-[(2-methoxyphenyl)methyl]triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
CID 145961321
(2S)-N-hydroxy-2-[[1-[1-(2-methoxyphenyl)ethyl]triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
CID 145961499
(2S)-2-[[1-[(2-ethoxyphenyl)methyl]triazol-4-yl]methylcarbamoylamino]-N-hydroxy-4-methylpentanamide
CID 145963210
(2S)-N-hydroxy-2-[[1-(2-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
CID 155520273
(2S)-N-hydroxy-2-[[1-(3-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
CID 155520984
(2S)-N-hydroxy-2-[[1-(3-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
CID 155522900

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-2-[[1-(4-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide?
The IUPAC name of (2S)-N-hydroxy-2-[[1-(4-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide (CID 155524942) is (2S)-N-hydroxy-2-[[1-(4-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide.
What is the SMILES notation for (2S)-N-hydroxy-2-[[1-(4-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide?
The canonical SMILES for (2S)-N-hydroxy-2-[[1-(4-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide is COc1ccc(-n2cc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)nn2)cc1.
What is the InChIKey of (2S)-N-hydroxy-2-[[1-(4-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide?
The InChIKey is PQHDXFBZUNFPHC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N6O4/c1-11(2)8-15(16(24)21-26)19-17(25)18-9-12-10-23(22-20-12)13-4-6-14(27-3)7-5-13/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-2-[[1-(4-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide?
(2S)-N-hydroxy-2-[[1-(4-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide has a molecular weight of 376.42 g/mol, XLogP of 1.00, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-2-[[1-(4-methoxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide is sourced from PubChem (CID 155524942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).