4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide

C23H30BrNO2 — CID 19206202

IUPAC4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
SMILESCc1cccc(C(C)C)c1NC(=O)CCCOc1ccc(C(C)C)cc1Br
InChIInChI=1S/C23H30BrNO2/c1-15(2)18-11-12-21(20(24)14-18)27-13-7-10-22(26)25-23-17(5)8-6-9-19(23)16(3)4/h6,8-9,11-12,14-16H,7,10,13H2,1-5H3,(H,25,26)
InChIKeyUCXDAHXWDDRYJB-UHFFFAOYSA-N
MW432.40 g/mol
LogP6.80
Rot. Bonds8

About 4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide

4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide (PubChem CID 19206202) has the molecular formula C23H30BrNO2 and a molecular weight of 432.40 g/mol. Its IUPAC name is 4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
PubChem CID19206202
Molecular FormulaC23H30BrNO2
Molecular Weight432.40 g/mol
Exact Mass431.15
IUPAC Name4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
SMILESCc1cccc(C(C)C)c1NC(=O)CCCOc1ccc(C(C)C)cc1Br
InChIInChI=1S/C23H30BrNO2/c1-15(2)18-11-12-21(20(24)14-18)27-13-7-10-22(26)25-23-17(5)8-6-9-19(23)16(3)4/h6,8-9,11-12,14-16H,7,10,13H2,1-5H3,(H,25,26)
InChIKeyUCXDAHXWDDRYJB-UHFFFAOYSA-N
XLogP6.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.40
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
CID 19201602
4-(2-bromo-4-ethylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
CID 19201600
N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19206365
4-(2-bromo-4-propan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 19206295
N-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19229080
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
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide
CID 19206246
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide
CID 19206305
[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
CID 9001162
N-(4-acetylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19206321
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methoxyphenyl)butanamide
CID 19206206

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide?
The IUPAC name of 4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide (CID 19206202) is 4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide?
The canonical SMILES for 4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide is Cc1cccc(C(C)C)c1NC(=O)CCCOc1ccc(C(C)C)cc1Br.
What is the InChIKey of 4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide?
The InChIKey is UCXDAHXWDDRYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30BrNO2/c1-15(2)18-11-12-21(20(24)14-18)27-13-7-10-22(26)25-23-17(5)8-6-9-19(23)16(3)4/h6,8-9,11-12,14-16H,7,10,13H2,1-5H3,(H,25,26).
What are the key properties of 4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide?
4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide has a molecular weight of 432.40 g/mol, XLogP of 6.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 19206202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).