N-hydroxy-3-methyl-2-[methyl-(2-methyl-2-phenylpropanoyl)amino]butanamide

C16H24N2O3 — CID 23437760

IUPACN-hydroxy-3-methyl-2-[methyl-(2-methyl-2-phenylpropanoyl)amino]butanamide
SMILESCC(C)C(C(=O)NO)N(C)C(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-11(2)13(14(19)17-21)18(5)15(20)16(3,4)12-9-7-6-8-10-12/h6-11,13,21H,1-5H3,(H,17,19)
InChIKeyYMLGYVLDJPTTSA-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.95
Rot. Bonds5

About N-hydroxy-3-methyl-2-[methyl-(2-methyl-2-phenylpropanoyl)amino]butanamide

N-hydroxy-3-methyl-2-[methyl-(2-methyl-2-phenylpropanoyl)amino]butanamide (PubChem CID 23437760) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-hydroxy-3-methyl-2-[methyl-(2-methyl-2-phenylpropanoyl)amino]butanamide.

Molecular Properties

Compound NameN-hydroxy-3-methyl-2-[methyl-(2-methyl-2-phenylpropanoyl)amino]butanamide
PubChem CID23437760
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-hydroxy-3-methyl-2-[methyl-(2-methyl-2-phenylpropanoyl)amino]butanamide
SMILESCC(C)C(C(=O)NO)N(C)C(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-11(2)13(14(19)17-21)18(5)15(20)16(3,4)12-9-7-6-8-10-12/h6-11,13,21H,1-5H3,(H,17,19)
InChIKeyYMLGYVLDJPTTSA-UHFFFAOYSA-N
XLogP1.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
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-hydroxy-2-[(2-hydroxy-2-phenylacetyl)-methylamino]-3-methylbutanamide
CID 23437756
N,2-dimethyl-2-phenyl-N-silylpropanamide
CID 173360182
(2S)-2-(dimethylamino)-3-methyl-N-(2-methyl-2-phenylpropyl)butanamide
CID 71855133
2-(dimethylamino)-N-(2-hydroxy-2-phenylpropyl)-3-methylbutanamide
CID 111334765
2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-phenylpropanamide
CID 62487543
N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide
CID 54990418
N-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide
CID 106356684
(2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide
CID 163211996
N-[(2-chlorophenyl)methyl]-N,2-dimethyl-2-phenylpropanamide
CID 112790320
N-[4-(aminomethyl)phenyl]-N,2-dimethyl-2-phenylpropanamide
CID 43275450
N-(1-aminopropan-2-yl)-2-methyl-2-phenylpropanamide
CID 63731541
[(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate
CID 118311634

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-methyl-2-[methyl-(2-methyl-2-phenylpropanoyl)amino]butanamide?
The IUPAC name of N-hydroxy-3-methyl-2-[methyl-(2-methyl-2-phenylpropanoyl)amino]butanamide (CID 23437760) is N-hydroxy-3-methyl-2-[methyl-(2-methyl-2-phenylpropanoyl)amino]butanamide.
What is the SMILES notation for N-hydroxy-3-methyl-2-[methyl-(2-methyl-2-phenylpropanoyl)amino]butanamide?
The canonical SMILES for N-hydroxy-3-methyl-2-[methyl-(2-methyl-2-phenylpropanoyl)amino]butanamide is CC(C)C(C(=O)NO)N(C)C(=O)C(C)(C)c1ccccc1.
What is the InChIKey of N-hydroxy-3-methyl-2-[methyl-(2-methyl-2-phenylpropanoyl)amino]butanamide?
The InChIKey is YMLGYVLDJPTTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)13(14(19)17-21)18(5)15(20)16(3,4)12-9-7-6-8-10-12/h6-11,13,21H,1-5H3,(H,17,19).
What are the key properties of N-hydroxy-3-methyl-2-[methyl-(2-methyl-2-phenylpropanoyl)amino]butanamide?
N-hydroxy-3-methyl-2-[methyl-(2-methyl-2-phenylpropanoyl)amino]butanamide has a molecular weight of 292.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methyl-2-[methyl-(2-methyl-2-phenylpropanoyl)amino]butanamide is sourced from PubChem (CID 23437760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).