2-(2-chloro-5-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide

C18H21ClN2O2 — CID 78889534

IUPAC2-(2-chloro-5-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)Nc2c(C)cc(C)nc2C)c1
InChIInChI=1S/C18H21ClN2O2/c1-10-6-7-15(19)16(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)
InChIKeyVQXUWUMJLFQDJO-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.37
Rot. Bonds4

About 2-(2-chloro-5-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide

2-(2-chloro-5-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide (PubChem CID 78889534) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
PubChem CID78889534
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)Nc2c(C)cc(C)nc2C)c1
InChIInChI=1S/C18H21ClN2O2/c1-10-6-7-15(19)16(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)
InChIKeyVQXUWUMJLFQDJO-UHFFFAOYSA-N
XLogP4.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78888618
(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide
CID 7642896
(2S)-2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40647462
2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4512597
2-(2,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 4944710
N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide
CID 43364367
(2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837680
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837681
2-(2-chloro-5-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
CID 47248031
2-(2-chlorophenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 4931956
(2R)-2-(2,5-dichlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2588733
N-(2,5-dichlorophenyl)-2-(2,5-dimethylphenoxy)propanamide
CID 4944864

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide (CID 78889534) is 2-(2-chloro-5-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide is Cc1ccc(Cl)c(OC(C)C(=O)Nc2c(C)cc(C)nc2C)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide?
The InChIKey is VQXUWUMJLFQDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-10-6-7-15(19)16(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-chloro-5-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide?
2-(2-chloro-5-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide has a molecular weight of 332.83 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide is sourced from PubChem (CID 78889534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).