N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenoxy)butanamide

C22H28BrNO5 — CID 24506331

IUPACN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)NCCc1cc(OC)c(OC)cc1Br
InChIInChI=1S/C22H28BrNO5/c1-4-28-18-8-5-6-9-19(18)29-13-7-10-22(25)24-12-11-16-14-20(26-2)21(27-3)15-17(16)23/h5-6,8-9,14-15H,4,7,10-13H2,1-3H3,(H,24,25)
InChIKeyFFBNSIACSPDILD-UHFFFAOYSA-N
MW466.37 g/mol
LogP4.38
Rot. Bonds12

About N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenoxy)butanamide

N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenoxy)butanamide (PubChem CID 24506331) has the molecular formula C22H28BrNO5 and a molecular weight of 466.37 g/mol. Its IUPAC name is N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenoxy)butanamide
PubChem CID24506331
Molecular FormulaC22H28BrNO5
Molecular Weight466.37 g/mol
Exact Mass465.12
IUPAC NameN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenoxy)butanamide
SMILESCCOc1ccccc1OCCCC(=O)NCCc1cc(OC)c(OC)cc1Br
InChIInChI=1S/C22H28BrNO5/c1-4-28-18-8-5-6-9-19(18)29-13-7-10-22(25)24-12-11-16-14-20(26-2)21(27-3)15-17(16)23/h5-6,8-9,14-15H,4,7,10-13H2,1-3H3,(H,24,25)
InChIKeyFFBNSIACSPDILD-UHFFFAOYSA-N
XLogP4.38
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromo-4,5-dimethoxyphenyl)-N-butylpropanamide
CID 2071413
4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 24819647
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
3-(2-bromo-4,5-dimethoxyphenyl)-N-(2-butoxyphenyl)propanamide
CID 2071400
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 19201982
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-indol-1-ylpropanamide
CID 18119415
N-[4-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 32623799
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 1043063
4-amino-N-[2-(2-ethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119317380
N-[2-(2-methoxyphenoxy)ethyl]octadecanamide
CID 5113156
2-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 113099769

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenoxy)butanamide?
The IUPAC name of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenoxy)butanamide (CID 24506331) is N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenoxy)butanamide.
What is the SMILES notation for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenoxy)butanamide?
The canonical SMILES for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenoxy)butanamide is CCOc1ccccc1OCCCC(=O)NCCc1cc(OC)c(OC)cc1Br.
What is the InChIKey of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenoxy)butanamide?
The InChIKey is FFBNSIACSPDILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrNO5/c1-4-28-18-8-5-6-9-19(18)29-13-7-10-22(25)24-12-11-16-14-20(26-2)21(27-3)15-17(16)23/h5-6,8-9,14-15H,4,7,10-13H2,1-3H3,(H,24,25).
What are the key properties of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenoxy)butanamide?
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenoxy)butanamide has a molecular weight of 466.37 g/mol, XLogP of 4.38, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenoxy)butanamide is sourced from PubChem (CID 24506331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).