2-(2-bromo-4-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide

C18H21BrN2O2 — CID 78888618

IUPAC2-(2-bromo-4-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2c(C)cc(C)nc2C)c(Br)c1
InChIInChI=1S/C18H21BrN2O2/c1-10-6-7-16(15(19)8-10)23-14(5)18(22)21-17-11(2)9-12(3)20-13(17)4/h6-9,14H,1-5H3,(H,21,22)
InChIKeyBLXPPYREOGGZKD-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.48
Rot. Bonds4

About 2-(2-bromo-4-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide

2-(2-bromo-4-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide (PubChem CID 78888618) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
PubChem CID78888618
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2c(C)cc(C)nc2C)c(Br)c1
InChIInChI=1S/C18H21BrN2O2/c1-10-6-7-16(15(19)8-10)23-14(5)18(22)21-17-11(2)9-12(3)20-13(17)4/h6-9,14H,1-5H3,(H,21,22)
InChIKeyBLXPPYREOGGZKD-UHFFFAOYSA-N
XLogP4.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78889534
2-(2-bromo-4-methylphenoxy)-N-(2,6-difluorophenyl)propanamide
CID 51236277
2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 55523747
(2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837680
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837681
(2R)-2-(2-bromo-4-methylphenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51958225
N-(4-aminophenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 43200099
2-(2-bromo-4-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 46633932
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
(2S)-2-(2-bromo-4-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 8958051
2-(2,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4944710

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide (CID 78888618) is 2-(2-bromo-4-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide is Cc1ccc(OC(C)C(=O)Nc2c(C)cc(C)nc2C)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide?
The InChIKey is BLXPPYREOGGZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-10-6-7-16(15(19)8-10)23-14(5)18(22)21-17-11(2)9-12(3)20-13(17)4/h6-9,14H,1-5H3,(H,21,22).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide?
2-(2-bromo-4-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide has a molecular weight of 377.28 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide is sourced from PubChem (CID 78888618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).