2-(2-bromo-4-methylphenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide

C18H21BrN2O3 — CID 55774550

IUPAC2-(2-bromo-4-methylphenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
SMILESCCOc1ncccc1CNC(=O)C(C)Oc1ccc(C)cc1Br
InChIInChI=1S/C18H21BrN2O3/c1-4-23-18-14(6-5-9-20-18)11-21-17(22)13(3)24-16-8-7-12(2)10-15(16)19/h5-10,13H,4,11H2,1-3H3,(H,21,22)
InChIKeyRAEBVKIACBDAIO-UHFFFAOYSA-N
MW393.28 g/mol
LogP3.63
Rot. Bonds7

About 2-(2-bromo-4-methylphenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide

2-(2-bromo-4-methylphenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide (PubChem CID 55774550) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
PubChem CID55774550
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
SMILESCCOc1ncccc1CNC(=O)C(C)Oc1ccc(C)cc1Br
InChIInChI=1S/C18H21BrN2O3/c1-4-23-18-14(6-5-9-20-18)11-21-17(22)13(3)24-16-8-7-12(2)10-15(16)19/h5-10,13H,4,11H2,1-3H3,(H,21,22)
InChIKeyRAEBVKIACBDAIO-UHFFFAOYSA-N
XLogP3.63
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide
CID 47055671
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 47047009
2-(2-bromo-4-methylphenoxy)-N-(3-hydroxypropyl)propanamide
CID 78888648
N'-[(2S)-2-(2-bromo-4-methylphenoxy)propanoyl]pyridine-2-carbohydrazide
CID 51958934
N-[(2-ethoxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133201955
1-[1-(2-bromophenyl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 134006420
2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 55523747
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 47035760
2-(2-bromo-4-methylphenoxy)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 46492565
(2R)-N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 92679385

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide (CID 55774550) is 2-(2-bromo-4-methylphenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide is CCOc1ncccc1CNC(=O)C(C)Oc1ccc(C)cc1Br.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide?
The InChIKey is RAEBVKIACBDAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-4-23-18-14(6-5-9-20-18)11-21-17(22)13(3)24-16-8-7-12(2)10-15(16)19/h5-10,13H,4,11H2,1-3H3,(H,21,22).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide?
2-(2-bromo-4-methylphenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide has a molecular weight of 393.28 g/mol, XLogP of 3.63, 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-ethoxy-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 55774550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).