N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide

C24H32BrNO2 — CID 53267686

IUPACN-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
SMILESCCCCc1ccc(NC(=O)CCCOc2ccc(C(C)C)c(C)c2)c(Br)c1
InChIInChI=1S/C24H32BrNO2/c1-5-6-8-19-10-13-23(22(25)16-19)26-24(27)9-7-14-28-20-11-12-21(17(2)3)18(4)15-20/h10-13,15-17H,5-9,14H2,1-4H3,(H,26,27)
InChIKeyMSMRLMPRHOKUBP-UHFFFAOYSA-N
MW446.43 g/mol
LogP7.02
Rot. Bonds10

About N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide

N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide (PubChem CID 53267686) has the molecular formula C24H32BrNO2 and a molecular weight of 446.43 g/mol. Its IUPAC name is N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
PubChem CID53267686
Molecular FormulaC24H32BrNO2
Molecular Weight446.43 g/mol
Exact Mass445.16
IUPAC NameN-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
SMILESCCCCc1ccc(NC(=O)CCCOc2ccc(C(C)C)c(C)c2)c(Br)c1
InChIInChI=1S/C24H32BrNO2/c1-5-6-8-19-10-13-23(22(25)16-19)26-24(27)9-7-14-28-20-11-12-21(17(2)3)18(4)15-20/h10-13,15-17H,5-9,14H2,1-4H3,(H,26,27)
InChIKeyMSMRLMPRHOKUBP-UHFFFAOYSA-N
XLogP7.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.43
LogP ≤ 57.02
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-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072263
N-(2,4-dimethylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072237
N-(2-bromo-4-butylphenyl)-4-(2,4-dimethylphenoxy)butanamide
CID 53267656
N-(4-bromophenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072293
N-(2-bromo-4-ethylphenyl)-4-(4-ethylphenoxy)butanamide
CID 53268051
N-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53268112
4-(2-bromo-4-tert-butylphenoxy)-N-(2-bromo-4-butylphenyl)butanamide
CID 53267642
N-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide
CID 53268050
butyl 3-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]benzoate
CID 19237131
N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide
CID 7695554
N-(2-bromophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19180400
4-(3-methyl-4-propan-2-ylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 2072259

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide?
The IUPAC name of N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide (CID 53267686) is N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide.
What is the SMILES notation for N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide?
The canonical SMILES for N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide is CCCCc1ccc(NC(=O)CCCOc2ccc(C(C)C)c(C)c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide?
The InChIKey is MSMRLMPRHOKUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BrNO2/c1-5-6-8-19-10-13-23(22(25)16-19)26-24(27)9-7-14-28-20-11-12-21(17(2)3)18(4)15-20/h10-13,15-17H,5-9,14H2,1-4H3,(H,26,27).
What are the key properties of N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide?
N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide has a molecular weight of 446.43 g/mol, XLogP of 7.02, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide is sourced from PubChem (CID 53267686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).