N-benzyl-N-hydroxy-2,2-dimethylbutanamide

C13H19NO2 — CID 121439991

IUPACN-benzyl-N-hydroxy-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)N(O)Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3
InChIKeyAVYVHIKSFXVDBG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.84
Rot. Bonds4

About N-benzyl-N-hydroxy-2,2-dimethylbutanamide

N-benzyl-N-hydroxy-2,2-dimethylbutanamide (PubChem CID 121439991) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-benzyl-N-hydroxy-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-benzyl-N-hydroxy-2,2-dimethylbutanamide
PubChem CID121439991
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-benzyl-N-hydroxy-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)N(O)Cc1ccccc1
InChIInChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3
InChIKeyAVYVHIKSFXVDBG-UHFFFAOYSA-N
XLogP2.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-N-hydroxy-2,2-dimethylbutanamide 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 N-benzyl-N-hydroxy-2,2-dimethylbutanamide?
The IUPAC name of N-benzyl-N-hydroxy-2,2-dimethylbutanamide (CID 121439991) is N-benzyl-N-hydroxy-2,2-dimethylbutanamide.
What is the SMILES notation for N-benzyl-N-hydroxy-2,2-dimethylbutanamide?
The canonical SMILES for N-benzyl-N-hydroxy-2,2-dimethylbutanamide is CCC(C)(C)C(=O)N(O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-hydroxy-2,2-dimethylbutanamide?
The InChIKey is AVYVHIKSFXVDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-13(2,3)12(15)14(16)10-11-8-6-5-7-9-11/h5-9,16H,4,10H2,1-3H3.
What are the key properties of N-benzyl-N-hydroxy-2,2-dimethylbutanamide?
N-benzyl-N-hydroxy-2,2-dimethylbutanamide has a molecular weight of 221.30 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-hydroxy-2,2-dimethylbutanamide is sourced from PubChem (CID 121439991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).