4-(4-tert-butylphenoxy)-N-(2-phenylphenyl)butanamide

C26H29NO2 — CID 7929940

IUPAC4-(4-tert-butylphenoxy)-N-(2-phenylphenyl)butanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C26H29NO2/c1-26(2,3)21-15-17-22(18-16-21)29-19-9-14-25(28)27-24-13-8-7-12-23(24)20-10-5-4-6-11-20/h4-8,10-13,15-18H,9,14,19H2,1-3H3,(H,27,28)
InChIKeyFJLQXSHJNKWZBM-UHFFFAOYSA-N
MW387.52 g/mol
LogP6.45
Rot. Bonds7

About 4-(4-tert-butylphenoxy)-N-(2-phenylphenyl)butanamide

4-(4-tert-butylphenoxy)-N-(2-phenylphenyl)butanamide (PubChem CID 7929940) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-N-(2-phenylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-N-(2-phenylphenyl)butanamide
PubChem CID7929940
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name4-(4-tert-butylphenoxy)-N-(2-phenylphenyl)butanamide
SMILESCC(C)(C)c1ccc(OCCCC(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C26H29NO2/c1-26(2,3)21-15-17-22(18-16-21)29-19-9-14-25(28)27-24-13-8-7-12-23(24)20-10-5-4-6-11-20/h4-8,10-13,15-18H,9,14,19H2,1-3H3,(H,27,28)
InChIKeyFJLQXSHJNKWZBM-UHFFFAOYSA-N
XLogP6.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 56.45
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

4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide
CID 19173562
3-[4-(4-tert-butylphenoxy)butanoylamino]-4-hydroxybenzoic acid
CID 108753977
N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
CID 19173570
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide
CID 119626635
nonyl 5-oxo-5-(2-phenylanilino)pentanoate
CID 91725304
N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide
CID 82034361
4-(4-ethoxyphenoxy)-N-(2-methylphenyl)butanamide
CID 7946732
4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide
CID 2677123
methyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173575
tert-butyl N-[2-oxo-2-[2-(4-phenoxybutanoylamino)anilino]ethyl]carbamate
CID 108917353
diethyl 2-[4-(4-tert-butylphenoxy)butanoylamino]-5-methylfuran-3,4-dicarboxylate
CID 108762202

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-N-(2-phenylphenyl)butanamide?
The IUPAC name of 4-(4-tert-butylphenoxy)-N-(2-phenylphenyl)butanamide (CID 7929940) is 4-(4-tert-butylphenoxy)-N-(2-phenylphenyl)butanamide.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-N-(2-phenylphenyl)butanamide?
The canonical SMILES for 4-(4-tert-butylphenoxy)-N-(2-phenylphenyl)butanamide is CC(C)(C)c1ccc(OCCCC(=O)Nc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-N-(2-phenylphenyl)butanamide?
The InChIKey is FJLQXSHJNKWZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO2/c1-26(2,3)21-15-17-22(18-16-21)29-19-9-14-25(28)27-24-13-8-7-12-23(24)20-10-5-4-6-11-20/h4-8,10-13,15-18H,9,14,19H2,1-3H3,(H,27,28).
What are the key properties of 4-(4-tert-butylphenoxy)-N-(2-phenylphenyl)butanamide?
4-(4-tert-butylphenoxy)-N-(2-phenylphenyl)butanamide has a molecular weight of 387.52 g/mol, XLogP of 6.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-N-(2-phenylphenyl)butanamide is sourced from PubChem (CID 7929940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).