4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

C22H28BrNO4 — CID 19201982

IUPAC4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
SMILESCCc1ccc(OCCCC(=O)NCCc2ccc(OC)c(OC)c2)c(Br)c1
InChIInChI=1S/C22H28BrNO4/c1-4-16-7-9-19(18(23)14-16)28-13-5-6-22(25)24-12-11-17-8-10-20(26-2)21(15-17)27-3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,24,25)
InChIKeyZSBOBHHRSSIQPU-UHFFFAOYSA-N
MW450.37 g/mol
LogP4.55
Rot. Bonds11

About 4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide (PubChem CID 19201982) has the molecular formula C22H28BrNO4 and a molecular weight of 450.37 g/mol. Its IUPAC name is 4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
PubChem CID19201982
Molecular FormulaC22H28BrNO4
Molecular Weight450.37 g/mol
Exact Mass449.12
IUPAC Name4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
SMILESCCc1ccc(OCCCC(=O)NCCc2ccc(OC)c(OC)c2)c(Br)c1
InChIInChI=1S/C22H28BrNO4/c1-4-16-7-9-19(18(23)14-16)28-13-5-6-22(25)24-12-11-17-8-10-20(26-2)21(15-17)27-3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,24,25)
InChIKeyZSBOBHHRSSIQPU-UHFFFAOYSA-N
XLogP4.55
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenoxy)butanamide
CID 19175359
N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 5073739
4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 19205915
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)butanamide
CID 46532046
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
CID 19860206
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1312635
4-[2-(3-methoxy-4-pentoxyphenyl)ethylamino]-4-oxobutanoate
CID 9152045
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9245794
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
CID 10471777
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 26120273

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide?
The IUPAC name of 4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide (CID 19201982) is 4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide?
The canonical SMILES for 4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide is CCc1ccc(OCCCC(=O)NCCc2ccc(OC)c(OC)c2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide?
The InChIKey is ZSBOBHHRSSIQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrNO4/c1-4-16-7-9-19(18(23)14-16)28-13-5-6-22(25)24-12-11-17-8-10-20(26-2)21(15-17)27-3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,24,25).
What are the key properties of 4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide?
4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide has a molecular weight of 450.37 g/mol, XLogP of 4.55, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 19201982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).