2-[4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexyl]-N-(2-methylpropyl)quinoline-4-carboxamide

C26H37N3O3 — CID 110085196

IUPAC2-[4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexyl]-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCOC(C)(C)C(=O)NCC1CCC(c2cc(C(=O)NCC(C)C)c3ccccc3n2)CC1
InChIInChI=1S/C26H37N3O3/c1-17(2)15-27-24(30)21-14-23(29-22-9-7-6-8-20(21)22)19-12-10-18(11-13-19)16-28-25(31)26(3,4)32-5/h6-9,14,17-19H,10-13,15-16H2,1-5H3,(H,27,30)(H,28,31)
InChIKeyVOEQCIRFXYSHJQ-UHFFFAOYSA-N
MW439.60 g/mol
LogP4.44
Rot. Bonds8

About 2-[4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexyl]-N-(2-methylpropyl)quinoline-4-carboxamide

2-[4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexyl]-N-(2-methylpropyl)quinoline-4-carboxamide (PubChem CID 110085196) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is 2-[4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexyl]-N-(2-methylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexyl]-N-(2-methylpropyl)quinoline-4-carboxamide
PubChem CID110085196
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC Name2-[4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexyl]-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCOC(C)(C)C(=O)NCC1CCC(c2cc(C(=O)NCC(C)C)c3ccccc3n2)CC1
InChIInChI=1S/C26H37N3O3/c1-17(2)15-27-24(30)21-14-23(29-22-9-7-6-8-20(21)22)19-12-10-18(11-13-19)16-28-25(31)26(3,4)32-5/h6-9,14,17-19H,10-13,15-16H2,1-5H3,(H,27,30)(H,28,31)
InChIKeyVOEQCIRFXYSHJQ-UHFFFAOYSA-N
XLogP4.44
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexyl]-N-(2-methylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-[4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexyl]-N-(2-methylpropyl)quinoline-4-carboxamide (CID 110085196) is 2-[4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexyl]-N-(2-methylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexyl]-N-(2-methylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-[4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexyl]-N-(2-methylpropyl)quinoline-4-carboxamide is COC(C)(C)C(=O)NCC1CCC(c2cc(C(=O)NCC(C)C)c3ccccc3n2)CC1.
What is the InChIKey of 2-[4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexyl]-N-(2-methylpropyl)quinoline-4-carboxamide?
The InChIKey is VOEQCIRFXYSHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3/c1-17(2)15-27-24(30)21-14-23(29-22-9-7-6-8-20(21)22)19-12-10-18(11-13-19)16-28-25(31)26(3,4)32-5/h6-9,14,17-19H,10-13,15-16H2,1-5H3,(H,27,30)(H,28,31).
What are the key properties of 2-[4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexyl]-N-(2-methylpropyl)quinoline-4-carboxamide?
2-[4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexyl]-N-(2-methylpropyl)quinoline-4-carboxamide has a molecular weight of 439.60 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexyl]-N-(2-methylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 110085196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).