4-methoxy-N,N-dimethylbutanamide

C7H15NO2 — CID 11228870

IUPAC4-methoxy-N,N-dimethylbutanamide
SMILESCOCCCC(=O)N(C)C
InChIInChI=1S/C7H15NO2/c1-8(2)7(9)5-4-6-10-3/h4-6H2,1-3H3
InChIKeyKHSFOXWYBQGJMD-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.50
Rot. Bonds4

About 4-methoxy-N,N-dimethylbutanamide

4-methoxy-N,N-dimethylbutanamide (PubChem CID 11228870) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-methoxy-N,N-dimethylbutanamide
PubChem CID11228870
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4-methoxy-N,N-dimethylbutanamide
SMILESCOCCCC(=O)N(C)C
InChIInChI=1S/C7H15NO2/c1-8(2)7(9)5-4-6-10-3/h4-6H2,1-3H3
InChIKeyKHSFOXWYBQGJMD-UHFFFAOYSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethylbutanamide?
The IUPAC name of 4-methoxy-N,N-dimethylbutanamide (CID 11228870) is 4-methoxy-N,N-dimethylbutanamide.
What is the SMILES notation for 4-methoxy-N,N-dimethylbutanamide?
The canonical SMILES for 4-methoxy-N,N-dimethylbutanamide is COCCCC(=O)N(C)C.
What is the InChIKey of 4-methoxy-N,N-dimethylbutanamide?
The InChIKey is KHSFOXWYBQGJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-8(2)7(9)5-4-6-10-3/h4-6H2,1-3H3.
What are the key properties of 4-methoxy-N,N-dimethylbutanamide?
4-methoxy-N,N-dimethylbutanamide has a molecular weight of 145.20 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethylbutanamide is sourced from PubChem (CID 11228870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).