(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide

C22H32N2O3 — CID 100776734

IUPAC(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide
SMILESCCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCC)c2cccnc12
InChIInChI=1S/C22H32N2O3/c1-5-8-14-22(4,27-7-3)21(25)24-18-12-13-19(26-16-9-6-2)20-17(18)11-10-15-23-20/h10-13,15H,5-9,14,16H2,1-4H3,(H,24,25)/t22-/m0/s1
InChIKeyGBRBTFNVGAZHBX-QFIPXVFZSA-N
MW372.51 g/mol
LogP5.34
Rot. Bonds11

About (2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide

(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide (PubChem CID 100776734) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is (2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide.

Molecular Properties

Compound Name(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide
PubChem CID100776734
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide
SMILESCCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCC)c2cccnc12
InChIInChI=1S/C22H32N2O3/c1-5-8-14-22(4,27-7-3)21(25)24-18-12-13-19(26-16-9-6-2)20-17(18)11-10-15-23-20/h10-13,15H,5-9,14,16H2,1-4H3,(H,24,25)/t22-/m0/s1
InChIKeyGBRBTFNVGAZHBX-QFIPXVFZSA-N
XLogP5.34
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide
CID 100776505
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide
CID 133205790
(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide
CID 100776850
N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
CID 133205598
N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
CID 100773589
2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 133205908
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100775972
2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100773580
(2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
CID 100774530
(2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide
CID 100774129
(2R)-2-methoxy-2-methyl-N-(8-propan-2-yloxyquinolin-5-yl)hexanamide
CID 100774849
(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylbutanamide
CID 100776127

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide?
The IUPAC name of (2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide (CID 100776734) is (2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide.
What is the SMILES notation for (2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide?
The canonical SMILES for (2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide is CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCC)c2cccnc12.
What is the InChIKey of (2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide?
The InChIKey is GBRBTFNVGAZHBX-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-5-8-14-22(4,27-7-3)21(25)24-18-12-13-19(26-16-9-6-2)20-17(18)11-10-15-23-20/h10-13,15H,5-9,14,16H2,1-4H3,(H,24,25)/t22-/m0/s1.
What are the key properties of (2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide?
(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide has a molecular weight of 372.51 g/mol, XLogP of 5.34, 11 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-ethoxy-2-methylhexanamide is sourced from PubChem (CID 100776734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).