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

C22H32N4O2 — CID 7872816

IUPAC2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](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)/t16-/m1/s1
InChIKeyYLZCQYZCAYRXQB-MRXNPFEDSA-N
MW384.52 g/mol
LogP3.94
Rot. Bonds7

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

2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide (PubChem CID 7872816) 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-[(2R)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide
PubChem CID7872816
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](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)/t16-/m1/s1
InChIKeyYLZCQYZCAYRXQB-MRXNPFEDSA-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

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

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Related Compounds

3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
CID 71639633
3-N-cycloheptyl-3-N-methylquinoxaline-2,3-diamine
CID 102985570
N-cyclopentyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 87021771
3-ethoxy-N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine
CID 71639631
3-ethoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine
CID 71639635
N-[(2R)-3-methylbutan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 26218455
3-N-cyclobutyl-3-N-methylquinoxaline-2,3-diamine
CID 102987398
4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylic acid
CID 62406915
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
N-[(2S)-3-methylbutan-2-yl]-2-(2-phenylphenoxy)acetamide
CID 8923326
ethyl 4-[cyclohexyl(methyl)amino]quinazoline-2-carboxylate
CID 45107020
2-(2-iodophenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 43075465

Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide (CID 7872816) is 2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide is CC(C)[C@@H](C)NC(=O)COc1nc2ccccc2nc1N(C)C1CCCCC1.
What is the InChIKey of 2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide?
The InChIKey is YLZCQYZCAYRXQB-MRXNPFEDSA-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)/t16-/m1/s1.
What are the key properties of 2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-[(2R)-3-methylbutan-2-yl]acetamide?
2-[3-[cyclohexyl(methyl)amino]quinoxalin-2-yl]oxy-N-[(2R)-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-[(2R)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 7872816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).