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

C15H23N3O3 — CID 71584676

IUPAC(2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanamide
SMILESCc1cccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)c1
InChIInChI=1S/C15H23N3O3/c1-10(2)7-13(14(19)18-21)17-15(20)16-9-12-6-4-5-11(3)8-12/h4-6,8,10,13,21H,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1
InChIKeyXSZYRFNGBBJUNJ-ZDUSSCGKSA-N
MW293.37 g/mol
LogP1.71
Rot. Bonds6

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

(2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanamide (PubChem CID 71584676) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanamide
PubChem CID71584676
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanamide
SMILESCc1cccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)c1
InChIInChI=1S/C15H23N3O3/c1-10(2)7-13(14(19)18-21)17-15(20)16-9-12-6-4-5-11(3)8-12/h4-6,8,10,13,21H,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1
InChIKeyXSZYRFNGBBJUNJ-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'}

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Related Compounds

N-(Benzylcarbamoyl)-leucyl-methylazaalanine-nitrile
CID 50994058
(2S)-2-[(2-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
CID 71584672
(2S)-2-[(3-chlorophenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
CID 71584675
(2S)-2-[(3,4-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
CID 127040559
(2S)-2-[(2,3-dimethylphenyl)methylcarbamoylamino]-4-methyl-N-oxidanyl-pentanamide
CID 127042772
(R)-N*4*-Hydroxy-N*1*-((S)-methylcarbamoyl-phenyl-methyl)-2-nonyl-succinamide
CID 10573362
(2s,3r)-n1-hydroxy-2-methyl-n4-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-3-(2-methylpropyl)butanediamide
CID 9928325
2(S)-(3-Benzyl-ureido)-4-methyl-pentanoic acid hydroxyamide
CID 50913428
APN Inhibitor 4cc
CID 60144811
N~2~-acetyl-N~1~-[(benzylamino)carbonyl]leucinamide
CID 3863297
(R)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-methylcarbamoyl-phenyl-methyl)-succinamide
CID 44272675
(S)-2-((R)-2-Amino-3-mercapto-propylamino)-3-methyl-pentanoic acid 3-methyl-benzylamide
CID 44351825

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanamide?
The IUPAC name of (2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanamide (CID 71584676) is (2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanamide.
What is the SMILES notation for (2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanamide?
The canonical SMILES for (2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanamide is Cc1cccc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)c1.
What is the InChIKey of (2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanamide?
The InChIKey is XSZYRFNGBBJUNJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)7-13(14(19)18-21)17-15(20)16-9-12-6-4-5-11(3)8-12/h4-6,8,10,13,21H,7,9H2,1-3H3,(H,18,19)(H2,16,17,20)/t13-/m0/s1.
What are the key properties of (2S)-N-hydroxy-4-methyl-2-[(3-methylphenyl)methylcarbamoylamino]pentanamide?
(2S)-N-hydroxy-4-methyl-2-[(3-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-[(3-methylphenyl)methylcarbamoylamino]pentanamide is sourced from PubChem (CID 71584676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).