(2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)carbamoylamino]pentanamide

C14H21N3O3 — CID 71584555

IUPAC(2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)carbamoylamino]pentanamide
SMILESCc1cccc(NC(=O)N[C@@H](CC(C)C)C(=O)NO)c1
InChIInChI=1S/C14H21N3O3/c1-9(2)7-12(13(18)17-20)16-14(19)15-11-6-4-5-10(3)8-11/h4-6,8-9,12,20H,7H2,1-3H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1
InChIKeyXGGXQGDIHJHVHO-LBPRGKRZSA-N
MW279.34 g/mol
LogP2.04
Rot. Bonds5

About (2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)carbamoylamino]pentanamide

(2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)carbamoylamino]pentanamide (PubChem CID 71584555) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)carbamoylamino]pentanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)carbamoylamino]pentanamide
PubChem CID71584555
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)carbamoylamino]pentanamide
SMILESCc1cccc(NC(=O)N[C@@H](CC(C)C)C(=O)NO)c1
InChIInChI=1S/C14H21N3O3/c1-9(2)7-12(13(18)17-20)16-14(19)15-11-6-4-5-10(3)8-11/h4-6,8-9,12,20H,7H2,1-3H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1
InChIKeyXGGXQGDIHJHVHO-LBPRGKRZSA-N
XLogP2.04
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.04
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)carbamoylamino]pentanamide?
The IUPAC name of (2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)carbamoylamino]pentanamide (CID 71584555) is (2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)carbamoylamino]pentanamide.
What is the SMILES notation for (2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)carbamoylamino]pentanamide?
The canonical SMILES for (2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)carbamoylamino]pentanamide is Cc1cccc(NC(=O)N[C@@H](CC(C)C)C(=O)NO)c1.
What is the InChIKey of (2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)carbamoylamino]pentanamide?
The InChIKey is XGGXQGDIHJHVHO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)7-12(13(18)17-20)16-14(19)15-11-6-4-5-10(3)8-11/h4-6,8-9,12,20H,7H2,1-3H3,(H,17,18)(H2,15,16,19)/t12-/m0/s1.
What are the key properties of (2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)carbamoylamino]pentanamide?
(2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)carbamoylamino]pentanamide has a molecular weight of 279.34 g/mol, XLogP of 2.04, 5 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-[(3-methylphenyl)carbamoylamino]pentanamide is sourced from PubChem (CID 71584555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).