2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-(3-methylbutan-2-yl)acetamide

C22H32N4O2 — CID 4842958

IUPAC2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)COc1nc2ccccc2nc1N(C)C1CCCCC1
InChIInChI=1S/C22H32N4O2/c1-15(2)16(3)23-20(27)14-28-22-21(26(4)17-10-6-5-7-11-17)24-18-12-8-9-13-19(18)25-22/h8-9,12-13,15-17H,5-7,10-11,14H2,1-4H3,(H,23,27)
InChIKeyYLZCQYZCAYRXQB-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.94
Rot. Bonds7

About 2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-(3-methylbutan-2-yl)acetamide

2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-(3-methylbutan-2-yl)acetamide (PubChem CID 4842958) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-(3-methylbutan-2-yl)acetamide
PubChem CID4842958
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)COc1nc2ccccc2nc1N(C)C1CCCCC1
InChIInChI=1S/C22H32N4O2/c1-15(2)16(3)23-20(27)14-28-22-21(26(4)17-10-6-5-7-11-17)24-18-12-8-9-13-19(18)25-22/h8-9,12-13,15-17H,5-7,10-11,14H2,1-4H3,(H,23,27)
InChIKeyYLZCQYZCAYRXQB-UHFFFAOYSA-N
XLogP3.94
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-(3-methylbutan-2-yl)acetamide (CID 4842958) is 2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)COc1nc2ccccc2nc1N(C)C1CCCCC1.
What is the InChIKey of 2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is YLZCQYZCAYRXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-15(2)16(3)23-20(27)14-28-22-21(26(4)17-10-6-5-7-11-17)24-18-12-8-9-13-19(18)25-22/h8-9,12-13,15-17H,5-7,10-11,14H2,1-4H3,(H,23,27).
What are the key properties of 2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-(3-methylbutan-2-yl)acetamide?
2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 384.52 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 4842958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).