4-propoxybutanamide

C7H15NO2 — CID 22414190

IUPAC4-propoxybutanamide
SMILESCCCOCCCC(N)=O
InChIInChI=1S/C7H15NO2/c1-2-5-10-6-3-4-7(8)9/h2-6H2,1H3,(H2,8,9)
InChIKeyFMUQSTVQFMLCRS-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.68
Rot. Bonds6

About 4-propoxybutanamide

4-propoxybutanamide (PubChem CID 22414190) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-propoxybutanamide.

Molecular Properties

Compound Name4-propoxybutanamide
PubChem CID22414190
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4-propoxybutanamide
SMILESCCCOCCCC(N)=O
InChIInChI=1S/C7H15NO2/c1-2-5-10-6-3-4-7(8)9/h2-6H2,1H3,(H2,8,9)
InChIKeyFMUQSTVQFMLCRS-UHFFFAOYSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
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-propoxybutanamide?
The IUPAC name of 4-propoxybutanamide (CID 22414190) is 4-propoxybutanamide.
What is the SMILES notation for 4-propoxybutanamide?
The canonical SMILES for 4-propoxybutanamide is CCCOCCCC(N)=O.
What is the InChIKey of 4-propoxybutanamide?
The InChIKey is FMUQSTVQFMLCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-5-10-6-3-4-7(8)9/h2-6H2,1H3,(H2,8,9).
What are the key properties of 4-propoxybutanamide?
4-propoxybutanamide has a molecular weight of 145.20 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxybutanamide is sourced from PubChem (CID 22414190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).