(2R)-2-(4-bromo-2,3,5-trimethylphenoxy)-N-(6-methyl-2-pyridinyl)propanamide

C18H21BrN2O2 — CID 93489966

IUPAC(2R)-2-(4-bromo-2,3,5-trimethylphenoxy)-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c(Br)c(C)c2C)n1
InChIInChI=1S/C18H21BrN2O2/c1-10-9-15(12(3)13(4)17(10)19)23-14(5)18(22)21-16-8-6-7-11(2)20-16/h6-9,14H,1-5H3,(H,20,21,22)/t14-/m1/s1
InChIKeyYCVILERQTCBDOA-CQSZACIVSA-N
MW377.28 g/mol
LogP4.48
Rot. Bonds4

About (2R)-2-(4-bromo-2,3,5-trimethylphenoxy)-N-(6-methyl-2-pyridinyl)propanamide

(2R)-2-(4-bromo-2,3,5-trimethylphenoxy)-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 93489966) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is (2R)-2-(4-bromo-2,3,5-trimethylphenoxy)-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromo-2,3,5-trimethylphenoxy)-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID93489966
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name(2R)-2-(4-bromo-2,3,5-trimethylphenoxy)-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c(Br)c(C)c2C)n1
InChIInChI=1S/C18H21BrN2O2/c1-10-9-15(12(3)13(4)17(10)19)23-14(5)18(22)21-16-8-6-7-11(2)20-16/h6-9,14H,1-5H3,(H,20,21,22)/t14-/m1/s1
InChIKeyYCVILERQTCBDOA-CQSZACIVSA-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

(2R)-2-(3-bromophenoxy)-N-(6-methyl-2-pyridinyl)propanamide
CID 7346831
2-(3-methylphenoxy)-N-(6-methyl-2-pyridinyl)propanamide
CID 4035367
(2R)-N-(6-methyl-2-pyridinyl)-2-phenoxypropanamide
CID 836214
2-amino-N-(6-methyl-2-pyridinyl)propanamide
CID 60731757
(2S)-2-amino-3-methyl-N-(6-methyl-2-pyridinyl)butanamide
CID 22689866
N-(6-methyl-2-pyridinyl)-2-phenylpropanamide
CID 70678328
N-(6-methyl-2-pyridinyl)-N'-propan-2-yloxamide
CID 44997659
2-(2,3-dimethylphenoxy)-N-(1,2-oxazol-3-yl)propanamide
CID 17249224
(2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 891226
(2S)-2-(2-methylphenoxy)-N-[3-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019898
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
N-(6-methyl-2-pyridinyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 887387

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromo-2,3,5-trimethylphenoxy)-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of (2R)-2-(4-bromo-2,3,5-trimethylphenoxy)-N-(6-methyl-2-pyridinyl)propanamide (CID 93489966) is (2R)-2-(4-bromo-2,3,5-trimethylphenoxy)-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for (2R)-2-(4-bromo-2,3,5-trimethylphenoxy)-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for (2R)-2-(4-bromo-2,3,5-trimethylphenoxy)-N-(6-methyl-2-pyridinyl)propanamide is Cc1cccc(NC(=O)[C@@H](C)Oc2cc(C)c(Br)c(C)c2C)n1.
What is the InChIKey of (2R)-2-(4-bromo-2,3,5-trimethylphenoxy)-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is YCVILERQTCBDOA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-10-9-15(12(3)13(4)17(10)19)23-14(5)18(22)21-16-8-6-7-11(2)20-16/h6-9,14H,1-5H3,(H,20,21,22)/t14-/m1/s1.
What are the key properties of (2R)-2-(4-bromo-2,3,5-trimethylphenoxy)-N-(6-methyl-2-pyridinyl)propanamide?
(2R)-2-(4-bromo-2,3,5-trimethylphenoxy)-N-(6-methyl-2-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 (2R)-2-(4-bromo-2,3,5-trimethylphenoxy)-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 93489966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).