N-hydroxy-N,3-dimethylbutanamide

C6H13NO2 — CID 10396880

IUPACN-hydroxy-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)O
InChIInChI=1S/C6H13NO2/c1-5(2)4-6(8)7(3)9/h5,9H,4H2,1-3H3
InChIKeyONTPLAPSKDLBKF-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.88
Rot. Bonds2

About N-hydroxy-N,3-dimethylbutanamide

N-hydroxy-N,3-dimethylbutanamide (PubChem CID 10396880) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-hydroxy-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-hydroxy-N,3-dimethylbutanamide
PubChem CID10396880
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-hydroxy-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)O
InChIInChI=1S/C6H13NO2/c1-5(2)4-6(8)7(3)9/h5,9H,4H2,1-3H3
InChIKeyONTPLAPSKDLBKF-UHFFFAOYSA-N
XLogP0.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.88
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'}

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Related Compounds

N-Methoxy-N-methylbutyramide
CID 13704543
N-Methoxy-N-methylcyclopropanecarboxamide
CID 15643267
N-Methyl butyrohydroxamic acid
CID 100664
N-methoxy-N,3-dimethylbutanamide
CID 10975620
N-methylpropionohydroxamic acid
CID 14795102
N-Methoxy-N,2-dimethylpropanamide
CID 10866371
N-methyl-isobutyrohydroxamic acid
CID 54066351
4,4,4-trifluoro-N-methoxy-N,3-dimethylbutanamide
CID 129050719
2-fluoro-N-methoxy-N,2-dimethylbutanamide
CID 166785115
N-hydroxy-N,2,2-trimethylpropanamide
CID 334656
N-methoxy-N,2-dimethylbutanamide
CID 11182675
2-fluoro-N-methoxy-N,3-dimethylbutanamide
CID 131206794

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N,3-dimethylbutanamide?
The IUPAC name of N-hydroxy-N,3-dimethylbutanamide (CID 10396880) is N-hydroxy-N,3-dimethylbutanamide.
What is the SMILES notation for N-hydroxy-N,3-dimethylbutanamide?
The canonical SMILES for N-hydroxy-N,3-dimethylbutanamide is CC(C)CC(=O)N(C)O.
What is the InChIKey of N-hydroxy-N,3-dimethylbutanamide?
The InChIKey is ONTPLAPSKDLBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(2)4-6(8)7(3)9/h5,9H,4H2,1-3H3.
What are the key properties of N-hydroxy-N,3-dimethylbutanamide?
N-hydroxy-N,3-dimethylbutanamide has a molecular weight of 131.18 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N,3-dimethylbutanamide is sourced from PubChem (CID 10396880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).