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

C20H24BrNO3 — CID 19206206

IUPAC4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCOc2ccc(C(C)C)cc2Br)cc1
InChIInChI=1S/C20H24BrNO3/c1-14(2)15-6-11-19(18(21)13-15)25-12-4-5-20(23)22-16-7-9-17(24-3)10-8-16/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)
InChIKeyZJJNXOQLTJHTMX-UHFFFAOYSA-N
MW406.32 g/mol
LogP5.38
Rot. Bonds8

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

4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methoxyphenyl)butanamide (PubChem CID 19206206) has the molecular formula C20H24BrNO3 and a molecular weight of 406.32 g/mol. Its IUPAC name is 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methoxyphenyl)butanamide
PubChem CID19206206
Molecular FormulaC20H24BrNO3
Molecular Weight406.32 g/mol
Exact Mass405.09
IUPAC Name4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCOc2ccc(C(C)C)cc2Br)cc1
InChIInChI=1S/C20H24BrNO3/c1-14(2)15-6-11-19(18(21)13-15)25-12-4-5-20(23)22-16-7-9-17(24-3)10-8-16/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23)
InChIKeyZJJNXOQLTJHTMX-UHFFFAOYSA-N
XLogP5.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.32
LogP ≤ 55.38
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-(3,4-dimethoxyphenyl)butanamide
CID 19206218
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-pentoxyphenyl)butanamide
CID 19206216
N-(4-acetylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19206321
4-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(diethylamino)phenyl]butanamide
CID 19206319
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 4-(2-bromo-4-propan-2-ylphenoxy)butanoate
CID 19206420
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide
CID 19206246
methyl 3-[4-(2-bromo-4-propan-2-ylphenoxy)butanoylamino]benzoate
CID 19206221
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3-chlorophenyl)butanamide
CID 19206243
N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19206365
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide
CID 19206305
N-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19229080
4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide
CID 19206333

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methoxyphenyl)butanamide?
The IUPAC name of 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methoxyphenyl)butanamide (CID 19206206) is 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methoxyphenyl)butanamide.
What is the SMILES notation for 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methoxyphenyl)butanamide?
The canonical SMILES for 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methoxyphenyl)butanamide is COc1ccc(NC(=O)CCCOc2ccc(C(C)C)cc2Br)cc1.
What is the InChIKey of 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methoxyphenyl)butanamide?
The InChIKey is ZJJNXOQLTJHTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO3/c1-14(2)15-6-11-19(18(21)13-15)25-12-4-5-20(23)22-16-7-9-17(24-3)10-8-16/h6-11,13-14H,4-5,12H2,1-3H3,(H,22,23).
What are the key properties of 4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methoxyphenyl)butanamide?
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methoxyphenyl)butanamide has a molecular weight of 406.32 g/mol, XLogP of 5.38, 8 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-methoxyphenyl)butanamide is sourced from PubChem (CID 19206206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).