4-(4-tert-butylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide

C24H33NO2 — CID 7790411

IUPAC4-(4-tert-butylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
SMILESCc1cccc(C(C)C)c1NC(=O)CCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H33NO2/c1-17(2)21-10-7-9-18(3)23(21)25-22(26)11-8-16-27-20-14-12-19(13-15-20)24(4,5)6/h7,9-10,12-15,17H,8,11,16H2,1-6H3,(H,25,26)
InChIKeyAPOBFIQTDQEJKB-UHFFFAOYSA-N
MW367.53 g/mol
LogP6.21
Rot. Bonds7

About 4-(4-tert-butylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide

4-(4-tert-butylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide (PubChem CID 7790411) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
PubChem CID7790411
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name4-(4-tert-butylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
SMILESCc1cccc(C(C)C)c1NC(=O)CCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H33NO2/c1-17(2)21-10-7-9-18(3)23(21)25-22(26)11-8-16-27-20-14-12-19(13-15-20)24(4,5)6/h7,9-10,12-15,17H,8,11,16H2,1-6H3,(H,25,26)
InChIKeyAPOBFIQTDQEJKB-UHFFFAOYSA-N
XLogP6.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 56.21
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-acetylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
CID 112762986
4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 79019177
4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 7790413
N-(2-methyl-6-propan-2-ylphenyl)decanamide
CID 3411920
2-(4-ethoxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 109008142
2-(4-methoxyphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 7688543
2-(4-ethoxyphenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 51536149
4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 19206202
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
4-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2701404
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-phenylphenoxy)acetamide
CID 7790431
methyl 4-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzoate
CID 7667630

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide?
The IUPAC name of 4-(4-tert-butylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide (CID 7790411) is 4-(4-tert-butylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide?
The canonical SMILES for 4-(4-tert-butylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide is Cc1cccc(C(C)C)c1NC(=O)CCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide?
The InChIKey is APOBFIQTDQEJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-17(2)21-10-7-9-18(3)23(21)25-22(26)11-8-16-27-20-14-12-19(13-15-20)24(4,5)6/h7,9-10,12-15,17H,8,11,16H2,1-6H3,(H,25,26).
What are the key properties of 4-(4-tert-butylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide?
4-(4-tert-butylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide has a molecular weight of 367.53 g/mol, XLogP of 6.21, 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-methyl-6-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 7790411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).