2-(2-bromo-4-propan-2-ylphenoxy)-N-(2-butoxyphenyl)acetamide

C21H26BrNO3 — CID 19201746

IUPAC2-(2-bromo-4-propan-2-ylphenoxy)-N-(2-butoxyphenyl)acetamide
SMILESCCCCOc1ccccc1NC(=O)COc1ccc(C(C)C)cc1Br
InChIInChI=1S/C21H26BrNO3/c1-4-5-12-25-20-9-7-6-8-18(20)23-21(24)14-26-19-11-10-16(15(2)3)13-17(19)22/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,23,24)
InChIKeyQZQVEYAZGZEFHN-UHFFFAOYSA-N
MW420.35 g/mol
LogP5.77
Rot. Bonds9

About 2-(2-bromo-4-propan-2-ylphenoxy)-N-(2-butoxyphenyl)acetamide

2-(2-bromo-4-propan-2-ylphenoxy)-N-(2-butoxyphenyl)acetamide (PubChem CID 19201746) has the molecular formula C21H26BrNO3 and a molecular weight of 420.35 g/mol. Its IUPAC name is 2-(2-bromo-4-propan-2-ylphenoxy)-N-(2-butoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propan-2-ylphenoxy)-N-(2-butoxyphenyl)acetamide
PubChem CID19201746
Molecular FormulaC21H26BrNO3
Molecular Weight420.35 g/mol
Exact Mass419.11
IUPAC Name2-(2-bromo-4-propan-2-ylphenoxy)-N-(2-butoxyphenyl)acetamide
SMILESCCCCOc1ccccc1NC(=O)COc1ccc(C(C)C)cc1Br
InChIInChI=1S/C21H26BrNO3/c1-4-5-12-25-20-9-7-6-8-18(20)23-21(24)14-26-19-11-10-16(15(2)3)13-17(19)22/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,23,24)
InChIKeyQZQVEYAZGZEFHN-UHFFFAOYSA-N
XLogP5.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.35
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-bromo-4-propan-2-ylphenoxy)-N-(2-butoxyphenyl)acetamide 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

N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-2-butoxybenzohydrazide
CID 4941268
2-(2-bromo-4-butan-2-ylphenoxy)-N-[2-(2-ethoxyethoxy)phenyl]acetamide
CID 17189623
N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19206365
2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide
CID 17189524
2-(2-bromo-4-propan-2-ylphenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 19201682
2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide
CID 17189631
N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 723516
2-(2-bromo-4-ethylphenoxy)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 17130889
1-[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylurea
CID 3328343
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1367163
N-(2-butoxyphenyl)-3-methylbutanamide
CID 19204184
2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 19202796

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-(2-butoxyphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-(2-butoxyphenyl)acetamide (CID 19201746) is 2-(2-bromo-4-propan-2-ylphenoxy)-N-(2-butoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-propan-2-ylphenoxy)-N-(2-butoxyphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-propan-2-ylphenoxy)-N-(2-butoxyphenyl)acetamide is CCCCOc1ccccc1NC(=O)COc1ccc(C(C)C)cc1Br.
What is the InChIKey of 2-(2-bromo-4-propan-2-ylphenoxy)-N-(2-butoxyphenyl)acetamide?
The InChIKey is QZQVEYAZGZEFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrNO3/c1-4-5-12-25-20-9-7-6-8-18(20)23-21(24)14-26-19-11-10-16(15(2)3)13-17(19)22/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,23,24).
What are the key properties of 2-(2-bromo-4-propan-2-ylphenoxy)-N-(2-butoxyphenyl)acetamide?
2-(2-bromo-4-propan-2-ylphenoxy)-N-(2-butoxyphenyl)acetamide has a molecular weight of 420.35 g/mol, XLogP of 5.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-propan-2-ylphenoxy)-N-(2-butoxyphenyl)acetamide is sourced from PubChem (CID 19201746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).