4-(2-methylpropoxy)butanamide

C8H17NO2 — CID 54529042

IUPAC4-(2-methylpropoxy)butanamide
SMILESCC(C)COCCCC(N)=O
InChIInChI=1S/C8H17NO2/c1-7(2)6-11-5-3-4-8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyYVEGLUSQTINDDQ-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.92
Rot. Bonds6

About 4-(2-methylpropoxy)butanamide

4-(2-methylpropoxy)butanamide (PubChem CID 54529042) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-(2-methylpropoxy)butanamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)butanamide
PubChem CID54529042
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-(2-methylpropoxy)butanamide
SMILESCC(C)COCCCC(N)=O
InChIInChI=1S/C8H17NO2/c1-7(2)6-11-5-3-4-8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyYVEGLUSQTINDDQ-UHFFFAOYSA-N
XLogP0.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.92
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-(2-methylpropoxy)butanamide?
The IUPAC name of 4-(2-methylpropoxy)butanamide (CID 54529042) is 4-(2-methylpropoxy)butanamide.
What is the SMILES notation for 4-(2-methylpropoxy)butanamide?
The canonical SMILES for 4-(2-methylpropoxy)butanamide is CC(C)COCCCC(N)=O.
What is the InChIKey of 4-(2-methylpropoxy)butanamide?
The InChIKey is YVEGLUSQTINDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(2)6-11-5-3-4-8(9)10/h7H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of 4-(2-methylpropoxy)butanamide?
4-(2-methylpropoxy)butanamide has a molecular weight of 159.23 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)butanamide is sourced from PubChem (CID 54529042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).