4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide

C17H26BrNO2 — CID 19206333

IUPAC4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide
SMILESCCC(C)NC(=O)CCCOc1ccc(C(C)C)cc1Br
InChIInChI=1S/C17H26BrNO2/c1-5-13(4)19-17(20)7-6-10-21-16-9-8-14(12(2)3)11-15(16)18/h8-9,11-13H,5-7,10H2,1-4H3,(H,19,20)
InChIKeyLVVWSVVLINQYOR-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.65
Rot. Bonds8

About 4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide

4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide (PubChem CID 19206333) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide.

Molecular Properties

Compound Name4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide
PubChem CID19206333
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide
SMILESCCC(C)NC(=O)CCCOc1ccc(C(C)C)cc1Br
InChIInChI=1S/C17H26BrNO2/c1-5-13(4)19-17(20)7-6-10-21-16-9-8-14(12(2)3)11-15(16)18/h8-9,11-13H,5-7,10H2,1-4H3,(H,19,20)
InChIKeyLVVWSVVLINQYOR-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19206365
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide
CID 19206246
4-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(diethylamino)phenyl]butanamide
CID 19206319
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19206218
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
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-pentoxyphenyl)butanamide
CID 19206216
N-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19229080
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 3329498
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-(5-chloro-2-methylphenyl)butanamide
CID 19206295

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide?
The IUPAC name of 4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide (CID 19206333) is 4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide.
What is the SMILES notation for 4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide?
The canonical SMILES for 4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide is CCC(C)NC(=O)CCCOc1ccc(C(C)C)cc1Br.
What is the InChIKey of 4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide?
The InChIKey is LVVWSVVLINQYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-5-13(4)19-17(20)7-6-10-21-16-9-8-14(12(2)3)11-15(16)18/h8-9,11-13H,5-7,10H2,1-4H3,(H,19,20).
What are the key properties of 4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide?
4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide has a molecular weight of 356.30 g/mol, XLogP of 4.65, 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-butan-2-ylbutanamide is sourced from PubChem (CID 19206333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).