N-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide

C21H26BrNO3 — CID 53268112

IUPACN-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide
SMILESCCCCc1ccc(NC(=O)C(C)Oc2ccc(OCC)cc2)c(Br)c1
InChIInChI=1S/C21H26BrNO3/c1-4-6-7-16-8-13-20(19(22)14-16)23-21(24)15(3)26-18-11-9-17(10-12-18)25-5-2/h8-15H,4-7H2,1-3H3,(H,23,24)
InChIKeyADUVFUYUYMNPRB-UHFFFAOYSA-N
MW420.35 g/mol
LogP5.60
Rot. Bonds9

About N-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide

N-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide (PubChem CID 53268112) has the molecular formula C21H26BrNO3 and a molecular weight of 420.35 g/mol. Its IUPAC name is N-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide
PubChem CID53268112
Molecular FormulaC21H26BrNO3
Molecular Weight420.35 g/mol
Exact Mass419.11
IUPAC NameN-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide
SMILESCCCCc1ccc(NC(=O)C(C)Oc2ccc(OCC)cc2)c(Br)c1
InChIInChI=1S/C21H26BrNO3/c1-4-6-7-16-8-13-20(19(22)14-16)23-21(24)15(3)26-18-11-9-17(10-12-18)25-5-2/h8-15H,4-7H2,1-3H3,(H,23,24)
InChIKeyADUVFUYUYMNPRB-UHFFFAOYSA-N
XLogP5.60
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 ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-tert-butylphenyl)-2-(4-propylphenoxy)propanamide
CID 53268285
N-(2-bromo-4-butylphenyl)acetamide
CID 23274178
N-(2-bromo-4-ethylphenyl)-2-(4-phenylphenoxy)propanamide
CID 53268008
N-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53267905
(2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide
CID 94842128
N-(2-bromo-4-butylphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 53267686
(2R)-N-(2-bromophenyl)-2-(4-ethylphenoxy)propanamide
CID 9236709
N-(4-chloro-2-methylphenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53267118
N-(2-bromo-4-butylphenyl)-2-ethoxybenzamide
CID 53267898
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 132653933
[(2R)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium
CID 9494899
methyl 2-[2-(4-ethoxyphenoxy)propanoylamino]benzoate
CID 53267145

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide?
The IUPAC name of N-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide (CID 53268112) is N-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide.
What is the SMILES notation for N-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide?
The canonical SMILES for N-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide is CCCCc1ccc(NC(=O)C(C)Oc2ccc(OCC)cc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide?
The InChIKey is ADUVFUYUYMNPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrNO3/c1-4-6-7-16-8-13-20(19(22)14-16)23-21(24)15(3)26-18-11-9-17(10-12-18)25-5-2/h8-15H,4-7H2,1-3H3,(H,23,24).
What are the key properties of N-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide?
N-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide has a molecular weight of 420.35 g/mol, XLogP of 5.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-butylphenyl)-2-(4-ethoxyphenoxy)propanamide is sourced from PubChem (CID 53268112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).