(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide

C21H30N2O3 — CID 100776505

IUPAC(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide
SMILESCCCCOc1ccc(NC(=O)[C@@](C)(CCC)OCC)c2cccnc12
InChIInChI=1S/C21H30N2O3/c1-5-8-15-25-18-12-11-17(16-10-9-14-22-19(16)18)23-20(24)21(4,13-6-2)26-7-3/h9-12,14H,5-8,13,15H2,1-4H3,(H,23,24)/t21-/m1/s1
InChIKeyFQMOACYSXPNTND-OAQYLSRUSA-N
MW358.48 g/mol
LogP4.95
Rot. Bonds10

About (2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide

(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide (PubChem CID 100776505) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is (2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide.

Molecular Properties

Compound Name(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide
PubChem CID100776505
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide
SMILESCCCCOc1ccc(NC(=O)[C@@](C)(CCC)OCC)c2cccnc12
InChIInChI=1S/C21H30N2O3/c1-5-8-15-25-18-12-11-17(16-10-9-14-22-19(16)18)23-20(24)21(4,13-6-2)26-7-3/h9-12,14H,5-8,13,15H2,1-4H3,(H,23,24)/t21-/m1/s1
InChIKeyFQMOACYSXPNTND-OAQYLSRUSA-N
XLogP4.95
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.95
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)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide
CID 100776734
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide
CID 133205790
N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
CID 133205598
2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 133205908
(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide
CID 100776850
N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
CID 100773589
(2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
CID 100774530
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100775972
2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100773580
(2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide
CID 100774129
(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylbutanamide
CID 100776127
(2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 100777802

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide?
The IUPAC name of (2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide (CID 100776505) is (2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide.
What is the SMILES notation for (2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide?
The canonical SMILES for (2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide is CCCCOc1ccc(NC(=O)[C@@](C)(CCC)OCC)c2cccnc12.
What is the InChIKey of (2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide?
The InChIKey is FQMOACYSXPNTND-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-5-8-15-25-18-12-11-17(16-10-9-14-22-19(16)18)23-20(24)21(4,13-6-2)26-7-3/h9-12,14H,5-8,13,15H2,1-4H3,(H,23,24)/t21-/m1/s1.
What are the key properties of (2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide?
(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide has a molecular weight of 358.48 g/mol, XLogP of 4.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide is sourced from PubChem (CID 100776505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).