2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2-hydroxy-2-methylpropyl)acetamide

C26H40N2O4 — CID 24784866

IUPAC2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCOc1ccc2cc(C(C)(C)C)c(=O)n(CC(=O)N(CCC(C)(C)C)CC(C)(C)O)c2c1
InChIInChI=1S/C26H40N2O4/c1-24(2,3)12-13-27(17-26(7,8)31)22(29)16-28-21-15-19(32-9)11-10-18(21)14-20(23(28)30)25(4,5)6/h10-11,14-15,31H,12-13,16-17H2,1-9H3
InChIKeyGOSWSDPPEBYANV-UHFFFAOYSA-N
MW444.62 g/mol
LogP4.34
Rot. Bonds7

About 2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2-hydroxy-2-methylpropyl)acetamide

2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2-hydroxy-2-methylpropyl)acetamide (PubChem CID 24784866) has the molecular formula C26H40N2O4 and a molecular weight of 444.62 g/mol. Its IUPAC name is 2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2-hydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2-hydroxy-2-methylpropyl)acetamide
PubChem CID24784866
Molecular FormulaC26H40N2O4
Molecular Weight444.62 g/mol
Exact Mass444.30
IUPAC Name2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2-hydroxy-2-methylpropyl)acetamide
SMILESCOc1ccc2cc(C(C)(C)C)c(=O)n(CC(=O)N(CCC(C)(C)C)CC(C)(C)O)c2c1
InChIInChI=1S/C26H40N2O4/c1-24(2,3)12-13-27(17-26(7,8)31)22(29)16-28-21-15-19(32-9)11-10-18(21)14-20(23(28)30)25(4,5)6/h10-11,14-15,31H,12-13,16-17H2,1-9H3
InChIKeyGOSWSDPPEBYANV-UHFFFAOYSA-N
XLogP4.34
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2-hydroxy-2-methylpropyl)acetamide with MolForge

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Related Compounds

2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(5-hydroxypentyl)acetamide
CID 24785098
2-(3-cyclopentyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2,2-dimethylpropyl)acetamide
CID 24784110
2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(5-hydroxypentyl)-N-(3-methylbutyl)acetamide
CID 24785097
N-(3,3-dimethylbutyl)-N-ethyl-2-(7-methoxy-2-oxo-3-phenylquinolin-1-yl)acetamide
CID 24782579
2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-propylacetamide
CID 68999776
2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(3,3-dimethylbutyl)-N-ethylacetamide
CID 68999731
2-(3-ethyl-7-methoxy-2-oxoquinolin-1-yl)-N,N-bis(3-methylbutyl)acetamide
CID 24782581
2-(3-cyclopentyl-7-methoxy-2-oxoquinolin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide
CID 24783600
2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide
CID 68997311
N,N-dibutyl-2-(7-methoxy-2-oxo-3-propan-2-ylquinolin-1-yl)acetamide
CID 68999797
N-(3,3-dimethylbutyl)-N-ethyl-2-(2-methoxycarbazol-9-yl)acetamide
CID 11696301
N-cyclohexyl-2-(3-cyclohexyl-7-methoxy-2-oxoquinolin-1-yl)-N-ethylacetamide
CID 24785892

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2-hydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2-hydroxy-2-methylpropyl)acetamide (CID 24784866) is 2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2-hydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2-hydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2-hydroxy-2-methylpropyl)acetamide is COc1ccc2cc(C(C)(C)C)c(=O)n(CC(=O)N(CCC(C)(C)C)CC(C)(C)O)c2c1.
What is the InChIKey of 2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2-hydroxy-2-methylpropyl)acetamide?
The InChIKey is GOSWSDPPEBYANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O4/c1-24(2,3)12-13-27(17-26(7,8)31)22(29)16-28-21-15-19(32-9)11-10-18(21)14-20(23(28)30)25(4,5)6/h10-11,14-15,31H,12-13,16-17H2,1-9H3.
What are the key properties of 2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2-hydroxy-2-methylpropyl)acetamide?
2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2-hydroxy-2-methylpropyl)acetamide has a molecular weight of 444.62 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-7-methoxy-2-oxoquinolin-1-yl)-N-(3,3-dimethylbutyl)-N-(2-hydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 24784866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).