N-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide

C26H40N2O3 — CID 100777985

IUPACN-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
SMILESCCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)c2cccnc12
InChIInChI=1S/C26H40N2O3/c1-7-9-16-30-23-13-12-22(21-11-10-14-27-24(21)23)28-25(29)26(17-19(3)4,18-20(5)6)31-15-8-2/h10-14,19-20H,7-9,15-18H2,1-6H3,(H,28,29)
InChIKeyQAYFATQCLCSJDO-UHFFFAOYSA-N
MW428.62 g/mol
LogP6.61
Rot. Bonds13

About N-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide

N-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide (PubChem CID 100777985) has the molecular formula C26H40N2O3 and a molecular weight of 428.62 g/mol. Its IUPAC name is N-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide.

Molecular Properties

Compound NameN-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
PubChem CID100777985
Molecular FormulaC26H40N2O3
Molecular Weight428.62 g/mol
Exact Mass428.30
IUPAC NameN-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
SMILESCCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)c2cccnc12
InChIInChI=1S/C26H40N2O3/c1-7-9-16-30-23-13-12-22(21-11-10-14-27-24(21)23)28-25(29)26(17-19(3)4,18-20(5)6)31-15-8-2/h10-14,19-20H,7-9,15-18H2,1-6H3,(H,28,29)
InChIKeyQAYFATQCLCSJDO-UHFFFAOYSA-N
XLogP6.61
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 56.61
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

(2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 100777802
N-(8-butoxyquinolin-5-yl)-2,2-dimethylpropanamide
CID 100773589
N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide
CID 133205883
(2S)-N-(8-ethoxyquinolin-5-yl)-2,4-dimethyl-2-propoxypentanamide
CID 100777796
2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100773580
N-(4-ethoxynaphthalen-1-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100765689
(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide
CID 100776734
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide
CID 133205790
(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)propanamide
CID 100775972
2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 133205908

Frequently Asked Questions

What is the IUPAC name of N-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide?
The IUPAC name of N-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide (CID 100777985) is N-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide.
What is the SMILES notation for N-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide?
The canonical SMILES for N-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide is CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)c2cccnc12.
What is the InChIKey of N-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide?
The InChIKey is QAYFATQCLCSJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O3/c1-7-9-16-30-23-13-12-22(21-11-10-14-27-24(21)23)28-25(29)26(17-19(3)4,18-20(5)6)31-15-8-2/h10-14,19-20H,7-9,15-18H2,1-6H3,(H,28,29).
What are the key properties of N-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide?
N-(8-butoxyquinolin-5-yl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide has a molecular weight of 428.62 g/mol, XLogP of 6.61, 13 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)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide is sourced from PubChem (CID 100777985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).