(3S)-N,3-dimethoxy-N-methylbutanamide

C7H15NO3 — CID 24881353

IUPAC(3S)-N,3-dimethoxy-N-methylbutanamide
SMILESCO[C@@H](C)CC(=O)N(C)OC
InChIInChI=1S/C7H15NO3/c1-6(10-3)5-7(9)8(2)11-4/h6H,5H2,1-4H3/t6-/m0/s1
InChIKeyAXCWFQGQLJVJTI-LURJTMIESA-N
MW161.20 g/mol
LogP0.43
Rot. Bonds4

About (3S)-N,3-dimethoxy-N-methylbutanamide

(3S)-N,3-dimethoxy-N-methylbutanamide (PubChem CID 24881353) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (3S)-N,3-dimethoxy-N-methylbutanamide.

Molecular Properties

Compound Name(3S)-N,3-dimethoxy-N-methylbutanamide
PubChem CID24881353
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(3S)-N,3-dimethoxy-N-methylbutanamide
SMILESCO[C@@H](C)CC(=O)N(C)OC
InChIInChI=1S/C7H15NO3/c1-6(10-3)5-7(9)8(2)11-4/h6H,5H2,1-4H3/t6-/m0/s1
InChIKeyAXCWFQGQLJVJTI-LURJTMIESA-N
XLogP0.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (3S)-N,3-dimethoxy-N-methylbutanamide?
The IUPAC name of (3S)-N,3-dimethoxy-N-methylbutanamide (CID 24881353) is (3S)-N,3-dimethoxy-N-methylbutanamide.
What is the SMILES notation for (3S)-N,3-dimethoxy-N-methylbutanamide?
The canonical SMILES for (3S)-N,3-dimethoxy-N-methylbutanamide is CO[C@@H](C)CC(=O)N(C)OC.
What is the InChIKey of (3S)-N,3-dimethoxy-N-methylbutanamide?
The InChIKey is AXCWFQGQLJVJTI-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO3/c1-6(10-3)5-7(9)8(2)11-4/h6H,5H2,1-4H3/t6-/m0/s1.
What are the key properties of (3S)-N,3-dimethoxy-N-methylbutanamide?
(3S)-N,3-dimethoxy-N-methylbutanamide has a molecular weight of 161.20 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,3-dimethoxy-N-methylbutanamide is sourced from PubChem (CID 24881353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).