N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide

C19H22BrNO4 — CID 1043063

IUPACN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCOc1cc(Br)c(CCNC(=O)COc2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H22BrNO4/c1-13-4-6-15(7-5-13)25-12-19(22)21-9-8-14-10-17(23-2)18(24-3)11-16(14)20/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyUNXZCUGZWZYVCE-UHFFFAOYSA-N
MW408.29 g/mol
LogP3.51
Rot. Bonds8

About N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide

N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide (PubChem CID 1043063) has the molecular formula C19H22BrNO4 and a molecular weight of 408.29 g/mol. Its IUPAC name is N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
PubChem CID1043063
Molecular FormulaC19H22BrNO4
Molecular Weight408.29 g/mol
Exact Mass407.07
IUPAC NameN-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
SMILESCOc1cc(Br)c(CCNC(=O)COc2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H22BrNO4/c1-13-4-6-15(7-5-13)25-12-19(22)21-9-8-14-10-17(23-2)18(24-3)11-16(14)20/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyUNXZCUGZWZYVCE-UHFFFAOYSA-N
XLogP3.51
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]benzamide
CID 24517297
N-[2-(2-methoxyphenyl)ethyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112993472
3-(2-bromo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)propanamide
CID 1406214
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26777794
2-(4-chlorophenoxy)-N-[2-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 110601482
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-4-(2-ethoxyphenoxy)butanamide
CID 24506331
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 3368075
2-(6-bromonaphthalen-2-yl)oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 9231224
2-[5-bromo-4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66543096
4-methoxy-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537866

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide (CID 1043063) is N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide is COc1cc(Br)c(CCNC(=O)COc2ccc(C)cc2)cc1OC.
What is the InChIKey of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is UNXZCUGZWZYVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO4/c1-13-4-6-15(7-5-13)25-12-19(22)21-9-8-14-10-17(23-2)18(24-3)11-16(14)20/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide?
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 408.29 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 1043063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).