N-(8-butoxyquinolin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide

C24H28N2O3 — CID 26823452

IUPACN-(8-butoxyquinolin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCCCCOc1ccc(NC(=O)COc2ccc(C(C)C)cc2)c2cccnc12
InChIInChI=1S/C24H28N2O3/c1-4-5-15-28-22-13-12-21(20-7-6-14-25-24(20)22)26-23(27)16-29-19-10-8-18(9-11-19)17(2)3/h6-14,17H,4-5,15-16H2,1-3H3,(H,26,27)
InChIKeyZGSXUXVCKMNZFO-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.55
Rot. Bonds9

About N-(8-butoxyquinolin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide

N-(8-butoxyquinolin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 26823452) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(8-butoxyquinolin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(8-butoxyquinolin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID26823452
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-(8-butoxyquinolin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCCCCOc1ccc(NC(=O)COc2ccc(C(C)C)cc2)c2cccnc12
InChIInChI=1S/C24H28N2O3/c1-4-5-15-28-22-13-12-21(20-7-6-14-25-24(20)22)26-23(27)16-29-19-10-8-18(9-11-19)17(2)3/h6-14,17H,4-5,15-16H2,1-3H3,(H,26,27)
InChIKeyZGSXUXVCKMNZFO-UHFFFAOYSA-N
XLogP5.55
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenoxy)-N-(8-methoxyquinolin-5-yl)acetamide
CID 26823047
2-(4-chlorophenoxy)-N-(8-methoxyquinolin-5-yl)acetamide
CID 26823034
N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
CID 100773589
2-(4-bromophenoxy)-N-(8-methoxyquinolin-5-yl)acetamide
CID 35577767
N-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100777985
(2S)-N-(8-butoxyquinolin-5-yl)-2-(4-fluorophenoxy)butanamide
CID 26823449
(2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 26823412
(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide
CID 100776734
(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide
CID 100776505
N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
CID 133205598
2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100773580
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930

Frequently Asked Questions

What is the IUPAC name of N-(8-butoxyquinolin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(8-butoxyquinolin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide (CID 26823452) is N-(8-butoxyquinolin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(8-butoxyquinolin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(8-butoxyquinolin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide is CCCCOc1ccc(NC(=O)COc2ccc(C(C)C)cc2)c2cccnc12.
What is the InChIKey of N-(8-butoxyquinolin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is ZGSXUXVCKMNZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-4-5-15-28-22-13-12-21(20-7-6-14-25-24(20)22)26-23(27)16-29-19-10-8-18(9-11-19)17(2)3/h6-14,17H,4-5,15-16H2,1-3H3,(H,26,27).
What are the key properties of N-(8-butoxyquinolin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(8-butoxyquinolin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 392.50 g/mol, XLogP of 5.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-butoxyquinolin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 26823452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).