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

C15H23N3O3 — CID 71459517

IUPAC(2S)-N-hydroxy-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide
SMILESCc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)cc1
InChIInChI=1S/C15H23N3O3/c1-10(2)8-13(14(19)18-21)17-15(20)16-9-12-6-4-11(3)5-7-12/h4-7,10,13,21H,8-9H2,1-3H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1
InChIKeyCBAYKXZXONVVTA-ZDUSSCGKSA-N
MW293.37 g/mol
LogP1.71
Rot. Bonds6

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

(2S)-N-hydroxy-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide (PubChem CID 71459517) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S)-N-hydroxy-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide
PubChem CID71459517
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2S)-N-hydroxy-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide
SMILESCc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)cc1
InChIInChI=1S/C15H23N3O3/c1-10(2)8-13(14(19)18-21)17-15(20)16-9-12-6-4-11(3)5-7-12/h4-7,10,13,21H,8-9H2,1-3H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1
InChIKeyCBAYKXZXONVVTA-ZDUSSCGKSA-N
XLogP1.71
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide?
The IUPAC name of (2S)-N-hydroxy-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide (CID 71459517) is (2S)-N-hydroxy-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide.
What is the SMILES notation for (2S)-N-hydroxy-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide?
The canonical SMILES for (2S)-N-hydroxy-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide is Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)cc1.
What is the InChIKey of (2S)-N-hydroxy-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide?
The InChIKey is CBAYKXZXONVVTA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)8-13(14(19)18-21)17-15(20)16-9-12-6-4-11(3)5-7-12/h4-7,10,13,21H,8-9H2,1-3H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1.
What are the key properties of (2S)-N-hydroxy-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide?
(2S)-N-hydroxy-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide has a molecular weight of 293.37 g/mol, XLogP of 1.71, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanamide is sourced from PubChem (CID 71459517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).