(2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide

C24H28N2O3 — CID 26823412

IUPAC(2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide
SMILESCCCCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c2cccnc12
InChIInChI=1S/C24H28N2O3/c1-5-6-12-28-22-10-9-21(20-8-7-11-25-23(20)22)26-24(27)18(4)29-19-14-16(2)13-17(3)15-19/h7-11,13-15,18H,5-6,12H2,1-4H3,(H,26,27)/t18-/m0/s1
InChIKeyCQWXLOUEMNKMJF-SFHVURJKSA-N
MW392.50 g/mol
LogP5.44
Rot. Bonds8

About (2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide

(2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide (PubChem CID 26823412) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is (2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide
PubChem CID26823412
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name(2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide
SMILESCCCCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c2cccnc12
InChIInChI=1S/C24H28N2O3/c1-5-6-12-28-22-10-9-21(20-8-7-11-25-23(20)22)26-24(27)18(4)29-19-14-16(2)13-17(3)15-19/h7-11,13-15,18H,5-6,12H2,1-4H3,(H,26,27)/t18-/m0/s1
InChIKeyCQWXLOUEMNKMJF-SFHVURJKSA-N
XLogP5.44
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.44
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

(2S)-2-(3,4-dimethylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide
CID 26823201
(2S)-2-(4-chloro-3-methylphenoxy)-N-(8-ethoxyquinolin-5-yl)propanamide
CID 26823186
(2R)-2-(3,4-dimethylphenoxy)-N-(8-methoxyquinolin-5-yl)propanamide
CID 26823081
(2R)-N-(8-ethoxyquinolin-5-yl)-2-(4-fluorophenoxy)propanamide
CID 35671687
(2R)-N-(8-ethoxyquinolin-5-yl)-2-(4-ethylphenoxy)propanamide
CID 26823233
(2S)-N-(8-butoxyquinolin-5-yl)-2-(4-fluorophenoxy)butanamide
CID 26823449
N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
CID 100773589
N-(8-butoxyquinolin-5-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 26823452
N-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100777985
2-(4-bromophenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 55548698
(2S)-N-(8-methoxyquinolin-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 35673294
N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 17087052

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide (CID 26823412) is (2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide is CCCCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)c2cccnc12.
What is the InChIKey of (2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide?
The InChIKey is CQWXLOUEMNKMJF-SFHVURJKSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-5-6-12-28-22-10-9-21(20-8-7-11-25-23(20)22)26-24(27)18(4)29-19-14-16(2)13-17(3)15-19/h7-11,13-15,18H,5-6,12H2,1-4H3,(H,26,27)/t18-/m0/s1.
What are the key properties of (2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide?
(2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide has a molecular weight of 392.50 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(8-butoxyquinolin-5-yl)-2-(3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 26823412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).