4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide

C21H28N2O2 — CID 78784602

IUPAC4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C21H28N2O2/c1-21(2,3)17-9-11-19(12-10-17)25-16-6-8-20(24)23-15-13-18-7-4-5-14-22-18/h4-5,7,9-12,14H,6,8,13,15-16H2,1-3H3,(H,23,24)
InChIKeyAEWPRSTXBKKULR-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.90
Rot. Bonds8

About 4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide

4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide (PubChem CID 78784602) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide
PubChem CID78784602
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)NCCc2ccccn2)cc1
InChIInChI=1S/C21H28N2O2/c1-21(2,3)17-9-11-19(12-10-17)25-16-6-8-20(24)23-15-13-18-7-4-5-14-22-18/h4-5,7,9-12,14H,6,8,13,15-16H2,1-3H3,(H,23,24)
InChIKeyAEWPRSTXBKKULR-UHFFFAOYSA-N
XLogP3.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 86920418
4-(4-tert-butylphenoxy)-N-pentylbutanamide
CID 19173675
methyl 3-[4-(4-tert-butylphenoxy)butanoylamino]propanoate
CID 78773025
N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]pyrazine-2-carboxamide
CID 108541737
3-(4-tert-butylphenyl)-N-(2-pyridin-2-ylethyl)prop-2-ynamide
CID 23627982
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide
CID 119626635
2-(4-acetylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 24607642
5-amino-N-(2-pyridin-2-ylethyl)hexanamide
CID 82848295
N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide
CID 51153172
4-(4-tert-butylphenoxy)-N-[3-(2-methylimidazol-1-yl)propyl]butanamide
CID 55957830
4-(4-tert-butylphenoxy)-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]butanamide
CID 97247433

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide?
The IUPAC name of 4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide (CID 78784602) is 4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide?
The canonical SMILES for 4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide is CC(C)(C)c1ccc(OCCCC(=O)NCCc2ccccn2)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide?
The InChIKey is AEWPRSTXBKKULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-21(2,3)17-9-11-19(12-10-17)25-16-6-8-20(24)23-15-13-18-7-4-5-14-22-18/h4-5,7,9-12,14H,6,8,13,15-16H2,1-3H3,(H,23,24).
What are the key properties of 4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide?
4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide has a molecular weight of 340.47 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-N-(2-pyridin-2-ylethyl)butanamide is sourced from PubChem (CID 78784602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).