N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide

C20H28N2O3 — CID 133205598

IUPACN-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
SMILESCCCCOc1ccc(NC(=O)C(C)(CCC)OC)c2cccnc12
InChIInChI=1S/C20H28N2O3/c1-5-7-14-25-17-11-10-16(15-9-8-13-21-18(15)17)22-19(23)20(3,24-4)12-6-2/h8-11,13H,5-7,12,14H2,1-4H3,(H,22,23)
InChIKeyNXCAUNLVIFUNIP-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.56
Rot. Bonds9

About N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide

N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide (PubChem CID 133205598) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide.

Molecular Properties

Compound NameN-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
PubChem CID133205598
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC NameN-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
SMILESCCCCOc1ccc(NC(=O)C(C)(CCC)OC)c2cccnc12
InChIInChI=1S/C20H28N2O3/c1-5-7-14-25-17-11-10-16(15-9-8-13-21-18(15)17)22-19(23)20(3,24-4)12-6-2/h8-11,13H,5-7,12,14H2,1-4H3,(H,22,23)
InChIKeyNXCAUNLVIFUNIP-UHFFFAOYSA-N
XLogP4.56
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide 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
(2R)-N-(8-ethoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide
CID 100774530
(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide
CID 100776734
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-methoxy-2-methyl-N-(8-propan-2-yloxyquinolin-5-yl)hexanamide
CID 100774849
N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
CID 100773589
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide
CID 133205790
(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide
CID 100776850
2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100773580
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100775972
(2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 100777802

Frequently Asked Questions

What is the IUPAC name of N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide?
The IUPAC name of N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide (CID 133205598) is N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide.
What is the SMILES notation for N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide?
The canonical SMILES for N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide is CCCCOc1ccc(NC(=O)C(C)(CCC)OC)c2cccnc12.
What is the InChIKey of N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide?
The InChIKey is NXCAUNLVIFUNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-5-7-14-25-17-11-10-16(15-9-8-13-21-18(15)17)22-19(23)20(3,24-4)12-6-2/h8-11,13H,5-7,12,14H2,1-4H3,(H,22,23).
What are the key properties of N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide?
N-(8-butoxyquinolin-5-yl)-2-methoxy-2-methylpentanamide has a molecular weight of 344.46 g/mol, XLogP of 4.56, 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-methoxy-2-methylpentanamide is sourced from PubChem (CID 133205598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).