N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide

C24H33NO3 — CID 19173570

IUPACN-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
SMILESCCCCOc1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H33NO3/c1-5-6-17-27-22-15-11-20(12-16-22)25-23(26)8-7-18-28-21-13-9-19(10-14-21)24(2,3)4/h9-16H,5-8,17-18H2,1-4H3,(H,25,26)
InChIKeyCXGURUJIKBMOOT-UHFFFAOYSA-N
MW383.53 g/mol
LogP5.96
Rot. Bonds10

About N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide

N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide (PubChem CID 19173570) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
PubChem CID19173570
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC NameN-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
SMILESCCCCOc1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C24H33NO3/c1-5-6-17-27-22-15-11-20(12-16-22)25-23(26)8-7-18-28-21-13-9-19(10-14-21)24(2,3)4/h9-16H,5-8,17-18H2,1-4H3,(H,25,26)
InChIKeyCXGURUJIKBMOOT-UHFFFAOYSA-N
XLogP5.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 55.96
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

propyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173583
methyl 4-[4-(4-tert-butylphenoxy)butanoylamino]benzoate
CID 19173575
4-[4-(4-tert-butylphenoxy)butanoylamino]benzamide
CID 2677123
N-(4-butoxyphenyl)butanamide
CID 4939679
N-(4-tert-butylphenyl)dodecanamide
CID 118504435
2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4945067
3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
CID 18266665
4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide
CID 19173834
5-(4-butoxyanilino)-5-oxopentanoic acid
CID 4939768
butyl 4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]benzoate
CID 19237060
4-(4-tert-butylphenoxy)-N-pentylbutanamide
CID 19173675
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide?
The IUPAC name of N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide (CID 19173570) is N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide.
What is the SMILES notation for N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide?
The canonical SMILES for N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide is CCCCOc1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide?
The InChIKey is CXGURUJIKBMOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-5-6-17-27-22-15-11-20(12-16-22)25-23(26)8-7-18-28-21-13-9-19(10-14-21)24(2,3)4/h9-16H,5-8,17-18H2,1-4H3,(H,25,26).
What are the key properties of N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide?
N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide has a molecular weight of 383.53 g/mol, XLogP of 5.96, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide is sourced from PubChem (CID 19173570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).