N,3-dimethoxy-N-methylbutanamide

C7H15NO3 — CID 74343458

IUPACN,3-dimethoxy-N-methylbutanamide
SMILESCOC(C)CC(=O)N(C)OC
InChIInChI=1S/C7H15NO3/c1-6(10-3)5-7(9)8(2)11-4/h6H,5H2,1-4H3
InChIKeyAXCWFQGQLJVJTI-UHFFFAOYSA-N
MW161.20 g/mol
LogP0.43
Rot. Bonds4

About N,3-dimethoxy-N-methylbutanamide

N,3-dimethoxy-N-methylbutanamide (PubChem CID 74343458) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is N,3-dimethoxy-N-methylbutanamide.

Molecular Properties

Compound NameN,3-dimethoxy-N-methylbutanamide
PubChem CID74343458
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC NameN,3-dimethoxy-N-methylbutanamide
SMILESCOC(C)CC(=O)N(C)OC
InChIInChI=1S/C7H15NO3/c1-6(10-3)5-7(9)8(2)11-4/h6H,5H2,1-4H3
InChIKeyAXCWFQGQLJVJTI-UHFFFAOYSA-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 N,3-dimethoxy-N-methylbutanamide?
The IUPAC name of N,3-dimethoxy-N-methylbutanamide (CID 74343458) is N,3-dimethoxy-N-methylbutanamide.
What is the SMILES notation for N,3-dimethoxy-N-methylbutanamide?
The canonical SMILES for N,3-dimethoxy-N-methylbutanamide is COC(C)CC(=O)N(C)OC.
What is the InChIKey of N,3-dimethoxy-N-methylbutanamide?
The InChIKey is AXCWFQGQLJVJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-6(10-3)5-7(9)8(2)11-4/h6H,5H2,1-4H3.
What are the key properties of N,3-dimethoxy-N-methylbutanamide?
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 N,3-dimethoxy-N-methylbutanamide is sourced from PubChem (CID 74343458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).