4-(4-tert-butylphenoxy)butanamide

C14H21NO2 — CID 82041345

IUPAC4-(4-tert-butylphenoxy)butanamide
SMILESCC(C)(C)c1ccc(OCCCC(N)=O)cc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)11-6-8-12(9-7-11)17-10-4-5-13(15)16/h6-9H,4-5,10H2,1-3H3,(H2,15,16)
InChIKeySFFXVOBFHCZARG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.63
Rot. Bonds5

About 4-(4-tert-butylphenoxy)butanamide

4-(4-tert-butylphenoxy)butanamide (PubChem CID 82041345) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)butanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)butanamide
PubChem CID82041345
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-(4-tert-butylphenoxy)butanamide
SMILESCC(C)(C)c1ccc(OCCCC(N)=O)cc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)11-6-8-12(9-7-11)17-10-4-5-13(15)16/h6-9H,4-5,10H2,1-3H3,(H2,15,16)
InChIKeySFFXVOBFHCZARG-UHFFFAOYSA-N
XLogP2.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.63
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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Related Compounds

(2-amino-2-oxoethyl) 4-(4-tert-butylphenoxy)butanoate
CID 7147580
4-(4-tert-butylphenoxy)-N'-hydroxybutanimidamide
CID 43185444
N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide
CID 119626635
4-(4-fluorophenoxy)butanamide
CID 43244704
ethyl 6-(4-tert-butylphenoxy)hexanoate
CID 59210875
4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide
CID 2677123
1-[4-[4-(4-tert-butylphenoxy)butanoyl]piperazin-1-yl]pentane-1,4-dione
CID 108536229
N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
CID 19173570
4-(4-tert-butylphenoxy)-1-piperidin-1-ylbutan-1-one
CID 19173677
4-(4-tert-butylphenoxy)-N-pentylbutanamide
CID 19173675
methyl 3-[4-(4-tert-butylphenoxy)butanoylamino]propanoate
CID 78773025
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(4-tert-butylphenoxy)butanamide
CID 24590901

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)butanamide?
The IUPAC name of 4-(4-tert-butylphenoxy)butanamide (CID 82041345) is 4-(4-tert-butylphenoxy)butanamide.
What is the SMILES notation for 4-(4-tert-butylphenoxy)butanamide?
The canonical SMILES for 4-(4-tert-butylphenoxy)butanamide is CC(C)(C)c1ccc(OCCCC(N)=O)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)butanamide?
The InChIKey is SFFXVOBFHCZARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,3)11-6-8-12(9-7-11)17-10-4-5-13(15)16/h6-9H,4-5,10H2,1-3H3,(H2,15,16).
What are the key properties of 4-(4-tert-butylphenoxy)butanamide?
4-(4-tert-butylphenoxy)butanamide has a molecular weight of 235.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)butanamide is sourced from PubChem (CID 82041345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).