N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide

C18H24N2O2 — CID 100773589

IUPACN-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
SMILESCCCCOc1ccc(NC(=O)C(C)(C)C)c2cccnc12
InChIInChI=1S/C18H24N2O2/c1-5-6-12-22-15-10-9-14(20-17(21)18(2,3)4)13-8-7-11-19-16(13)15/h7-11H,5-6,12H2,1-4H3,(H,20,21)
InChIKeyJACALSJAGPCZSK-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.40
Rot. Bonds5

About N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide

N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide (PubChem CID 100773589) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
PubChem CID100773589
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
SMILESCCCCOc1ccc(NC(=O)C(C)(C)C)c2cccnc12
InChIInChI=1S/C18H24N2O2/c1-5-6-12-22-15-10-9-14(20-17(21)18(2,3)4)13-8-7-11-19-16(13)15/h7-11H,5-6,12H2,1-4H3,(H,20,21)
InChIKeyJACALSJAGPCZSK-UHFFFAOYSA-N
XLogP4.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100773580
(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-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide
CID 133205790
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100775972
N-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100777985
2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 133205908
(2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide
CID 100774129
(2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 100777802
(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide
CID 100776850
N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide
CID 133205883

Frequently Asked Questions

What is the IUPAC name of N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide (CID 100773589) is N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide is CCCCOc1ccc(NC(=O)C(C)(C)C)c2cccnc12.
What is the InChIKey of N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide?
The InChIKey is JACALSJAGPCZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-5-6-12-22-15-10-9-14(20-17(21)18(2,3)4)13-8-7-11-19-16(13)15/h7-11H,5-6,12H2,1-4H3,(H,20,21).
What are the key properties of N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide?
N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide has a molecular weight of 300.40 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 100773589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).