2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide

C19H22BrNO4 — CID 47047009

IUPAC2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(OC)c(CNC(=O)C(C)Oc2ccc(C)cc2Br)c1
InChIInChI=1S/C19H22BrNO4/c1-12-5-7-18(16(20)9-12)25-13(2)19(22)21-11-14-10-15(23-3)6-8-17(14)24-4/h5-10,13H,11H2,1-4H3,(H,21,22)
InChIKeyRYBRSMZPKYWGET-UHFFFAOYSA-N
MW408.29 g/mol
LogP3.86
Rot. Bonds7

About 2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide

2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide (PubChem CID 47047009) has the molecular formula C19H22BrNO4 and a molecular weight of 408.29 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
PubChem CID47047009
Molecular FormulaC19H22BrNO4
Molecular Weight408.29 g/mol
Exact Mass407.07
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(OC)c(CNC(=O)C(C)Oc2ccc(C)cc2Br)c1
InChIInChI=1S/C19H22BrNO4/c1-12-5-7-18(16(20)9-12)25-13(2)19(22)21-11-14-10-15(23-3)6-8-17(14)24-4/h5-10,13H,11H2,1-4H3,(H,21,22)
InChIKeyRYBRSMZPKYWGET-UHFFFAOYSA-N
XLogP3.86
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 104707490
(2R)-2-(2,4-dimethylphenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 124561460
2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 104707302
2-amino-N-[(2,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666975
2-(2-bromo-4-methylphenoxy)-N-(3-hydroxypropyl)propanamide
CID 78888648
2-(2-bromo-4-methylphenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
CID 55774550
N-ethyl-2-[4-methoxy-2-(methylaminomethyl)phenoxy]propanamide
CID 43276266
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
2-(2-bromo-4-methoxyphenoxy)-N-butan-2-ylpropanamide
CID 104704703
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 43267928
(2R)-2-(2-bromo-4-methylphenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51958225

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide (CID 47047009) is 2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide is COc1ccc(OC)c(CNC(=O)C(C)Oc2ccc(C)cc2Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide?
The InChIKey is RYBRSMZPKYWGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO4/c1-12-5-7-18(16(20)9-12)25-13(2)19(22)21-11-14-10-15(23-3)6-8-17(14)24-4/h5-10,13H,11H2,1-4H3,(H,21,22).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide?
2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide has a molecular weight of 408.29 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 47047009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).