2-(4-bromo-3-methylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide

C20H24BrNO3 — CID 133184316

IUPAC2-(4-bromo-3-methylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)COc1ccc(Br)c(C)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C20H24BrNO3/c1-5-18(15-6-9-19(24-4)14(3)10-15)22-20(23)12-25-16-7-8-17(21)13(2)11-16/h6-11,18H,5,12H2,1-4H3,(H,22,23)
InChIKeyPIJCQZRBOBMJSD-UHFFFAOYSA-N
MW406.32 g/mol
LogP4.72
Rot. Bonds7

About 2-(4-bromo-3-methylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide

2-(4-bromo-3-methylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide (PubChem CID 133184316) has the molecular formula C20H24BrNO3 and a molecular weight of 406.32 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
PubChem CID133184316
Molecular FormulaC20H24BrNO3
Molecular Weight406.32 g/mol
Exact Mass405.09
IUPAC Name2-(4-bromo-3-methylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)COc1ccc(Br)c(C)c1)c1ccc(OC)c(C)c1
InChIInChI=1S/C20H24BrNO3/c1-5-18(15-6-9-19(24-4)14(3)10-15)22-20(23)12-25-16-7-8-17(21)13(2)11-16/h6-11,18H,5,12H2,1-4H3,(H,22,23)
InChIKeyPIJCQZRBOBMJSD-UHFFFAOYSA-N
XLogP4.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28636573
2-(2-bromo-4-tert-butylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133202649
2-(2,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100761254
N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide
CID 99993947
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133251910
2-(3-bromophenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 18192757
2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
CID 2949556
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide
CID 132653917
2-(4-ethylphenyl)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100585229
2-(4-ethylphenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133202725
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 132651553
2-(4-bromo-3-methylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 99951022

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide (CID 133184316) is 2-(4-bromo-3-methylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide is CCC(NC(=O)COc1ccc(Br)c(C)c1)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide?
The InChIKey is PIJCQZRBOBMJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO3/c1-5-18(15-6-9-19(24-4)14(3)10-15)22-20(23)12-25-16-7-8-17(21)13(2)11-16/h6-11,18H,5,12H2,1-4H3,(H,22,23).
What are the key properties of 2-(4-bromo-3-methylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide?
2-(4-bromo-3-methylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide has a molecular weight of 406.32 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide is sourced from PubChem (CID 133184316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).