2-(5-methyl-2-propan-2-ylphenoxy)-N-(8-methylquinolin-5-yl)propanamide

C23H26N2O2 — CID 51065828

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-(8-methylquinolin-5-yl)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)Nc2ccc(C)c3ncccc23)c1
InChIInChI=1S/C23H26N2O2/c1-14(2)18-10-8-15(3)13-21(18)27-17(5)23(26)25-20-11-9-16(4)22-19(20)7-6-12-24-22/h6-14,17H,1-5H3,(H,25,26)
InChIKeyISBKLMCCFMBHLK-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.38
Rot. Bonds5

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-(8-methylquinolin-5-yl)propanamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-(8-methylquinolin-5-yl)propanamide (PubChem CID 51065828) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(8-methylquinolin-5-yl)propanamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(8-methylquinolin-5-yl)propanamide
PubChem CID51065828
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(8-methylquinolin-5-yl)propanamide
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)Nc2ccc(C)c3ncccc23)c1
InChIInChI=1S/C23H26N2O2/c1-14(2)18-10-8-15(3)13-21(18)27-17(5)23(26)25-20-11-9-16(4)22-19(20)7-6-12-24-22/h6-14,17H,1-5H3,(H,25,26)
InChIKeyISBKLMCCFMBHLK-UHFFFAOYSA-N
XLogP5.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 35673294
(2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 38950691
2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 55548698
N-(2-ethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 134012633
(2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide
CID 26823081
(2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide
CID 26823201
N-(2,4-difluorophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133219467
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenylphenyl)propanamide
CID 133162179
(2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide
CID 26823186
(2R)-N-(2-benzoylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100679238
N-(2,5-dimethoxyphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 112778600
methyl 2-hydroxy-3-[2-(5-methyl-2-propan-2-ylphenoxy)propanoylamino]benzoate
CID 56576066

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(8-methylquinolin-5-yl)propanamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(8-methylquinolin-5-yl)propanamide (CID 51065828) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(8-methylquinolin-5-yl)propanamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(8-methylquinolin-5-yl)propanamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(8-methylquinolin-5-yl)propanamide is Cc1ccc(C(C)C)c(OC(C)C(=O)Nc2ccc(C)c3ncccc23)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(8-methylquinolin-5-yl)propanamide?
The InChIKey is ISBKLMCCFMBHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-14(2)18-10-8-15(3)13-21(18)27-17(5)23(26)25-20-11-9-16(4)22-19(20)7-6-12-24-22/h6-14,17H,1-5H3,(H,25,26).
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(8-methylquinolin-5-yl)propanamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-(8-methylquinolin-5-yl)propanamide has a molecular weight of 362.47 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(8-methylquinolin-5-yl)propanamide is sourced from PubChem (CID 51065828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).