(2S)-N-methoxy-N,2-dimethylbutanamide

C7H15NO2 — CID 12026410

IUPAC(2S)-N-methoxy-N,2-dimethylbutanamide
SMILESCC[C@H](C)C(=O)N(C)OC
InChIInChI=1S/C7H15NO2/c1-5-6(2)7(9)8(3)10-4/h6H,5H2,1-4H3/t6-/m0/s1
InChIKeyKAKOWMZZDIZSTD-LURJTMIESA-N
MW145.20 g/mol
LogP1.05
Rot. Bonds3

About (2S)-N-methoxy-N,2-dimethylbutanamide

(2S)-N-methoxy-N,2-dimethylbutanamide (PubChem CID 12026410) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2S)-N-methoxy-N,2-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-N-methoxy-N,2-dimethylbutanamide
PubChem CID12026410
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2S)-N-methoxy-N,2-dimethylbutanamide
SMILESCC[C@H](C)C(=O)N(C)OC
InChIInChI=1S/C7H15NO2/c1-5-6(2)7(9)8(3)10-4/h6H,5H2,1-4H3/t6-/m0/s1
InChIKeyKAKOWMZZDIZSTD-LURJTMIESA-N
XLogP1.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methoxy-N,2-dimethylbutanamide?
The IUPAC name of (2S)-N-methoxy-N,2-dimethylbutanamide (CID 12026410) is (2S)-N-methoxy-N,2-dimethylbutanamide.
What is the SMILES notation for (2S)-N-methoxy-N,2-dimethylbutanamide?
The canonical SMILES for (2S)-N-methoxy-N,2-dimethylbutanamide is CC[C@H](C)C(=O)N(C)OC.
What is the InChIKey of (2S)-N-methoxy-N,2-dimethylbutanamide?
The InChIKey is KAKOWMZZDIZSTD-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO2/c1-5-6(2)7(9)8(3)10-4/h6H,5H2,1-4H3/t6-/m0/s1.
What are the key properties of (2S)-N-methoxy-N,2-dimethylbutanamide?
(2S)-N-methoxy-N,2-dimethylbutanamide has a molecular weight of 145.20 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methoxy-N,2-dimethylbutanamide is sourced from PubChem (CID 12026410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).