4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-pentoxyphenyl)butanamide

C24H32BrNO3 — CID 19206216

IUPAC4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-pentoxyphenyl)butanamide
SMILESCCCCCOc1ccc(NC(=O)CCCOc2ccc(C(C)C)cc2Br)cc1
InChIInChI=1S/C24H32BrNO3/c1-4-5-6-15-28-21-12-10-20(11-13-21)26-24(27)8-7-16-29-23-14-9-19(18(2)3)17-22(23)25/h9-14,17-18H,4-8,15-16H2,1-3H3,(H,26,27)
InChIKeySZOMHMNATUGBRJ-UHFFFAOYSA-N
MW462.43 g/mol
LogP6.94
Rot. Bonds12

About 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-pentoxyphenyl)butanamide

4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-pentoxyphenyl)butanamide (PubChem CID 19206216) has the molecular formula C24H32BrNO3 and a molecular weight of 462.43 g/mol. Its IUPAC name is 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-pentoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-pentoxyphenyl)butanamide
PubChem CID19206216
Molecular FormulaC24H32BrNO3
Molecular Weight462.43 g/mol
Exact Mass461.16
IUPAC Name4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-pentoxyphenyl)butanamide
SMILESCCCCCOc1ccc(NC(=O)CCCOc2ccc(C(C)C)cc2Br)cc1
InChIInChI=1S/C24H32BrNO3/c1-4-5-6-15-28-21-12-10-20(11-13-21)26-24(27)8-7-16-29-23-14-9-19(18(2)3)17-22(23)25/h9-14,17-18H,4-8,15-16H2,1-3H3,(H,26,27)
InChIKeySZOMHMNATUGBRJ-UHFFFAOYSA-N
XLogP6.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.43
LogP ≤ 56.94
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-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methoxyphenyl)butanamide
CID 19206206
4-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(diethylamino)phenyl]butanamide
CID 19206319
N-(4-acetylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19206321
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19206218
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide
CID 19206246
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3-chlorophenyl)butanamide
CID 19206243
methyl 3-[4-(2-bromo-4-propan-2-ylphenoxy)butanoylamino]benzoate
CID 19206221
N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19206365
4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide
CID 19206333
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide
CID 19206305
3-bromo-N-(4-heptoxyphenyl)-4-hexoxybenzamide
CID 4959571
N-(3,5-dimethylphenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207272

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-pentoxyphenyl)butanamide?
The IUPAC name of 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-pentoxyphenyl)butanamide (CID 19206216) is 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-pentoxyphenyl)butanamide.
What is the SMILES notation for 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-pentoxyphenyl)butanamide?
The canonical SMILES for 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-pentoxyphenyl)butanamide is CCCCCOc1ccc(NC(=O)CCCOc2ccc(C(C)C)cc2Br)cc1.
What is the InChIKey of 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-pentoxyphenyl)butanamide?
The InChIKey is SZOMHMNATUGBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BrNO3/c1-4-5-6-15-28-21-12-10-20(11-13-21)26-24(27)8-7-16-29-23-14-9-19(18(2)3)17-22(23)25/h9-14,17-18H,4-8,15-16H2,1-3H3,(H,26,27).
What are the key properties of 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-pentoxyphenyl)butanamide?
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-pentoxyphenyl)butanamide has a molecular weight of 462.43 g/mol, XLogP of 6.94, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-pentoxyphenyl)butanamide is sourced from PubChem (CID 19206216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).