N-[4-[(2R)-butan-2-yl]phenyl]-2-quinoxalin-2-yloxyacetamide

C20H21N3O2 — CID 2080749

IUPACN-[4-[(2R)-butan-2-yl]phenyl]-2-quinoxalin-2-yloxyacetamide
SMILESCC[C@@H](C)c1ccc(NC(=O)COc2cnc3ccccc3n2)cc1
InChIInChI=1S/C20H21N3O2/c1-3-14(2)15-8-10-16(11-9-15)22-19(24)13-25-20-12-21-17-6-4-5-7-18(17)23-20/h4-12,14H,3,13H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyPSQJMXDEVAEKKS-CQSZACIVSA-N
MW335.41 g/mol
LogP4.16
Rot. Bonds6

About N-[4-[(2R)-butan-2-yl]phenyl]-2-quinoxalin-2-yloxyacetamide

N-[4-[(2R)-butan-2-yl]phenyl]-2-quinoxalin-2-yloxyacetamide (PubChem CID 2080749) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[4-[(2R)-butan-2-yl]phenyl]-2-quinoxalin-2-yloxyacetamide.

Molecular Properties

Compound NameN-[4-[(2R)-butan-2-yl]phenyl]-2-quinoxalin-2-yloxyacetamide
PubChem CID2080749
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[4-[(2R)-butan-2-yl]phenyl]-2-quinoxalin-2-yloxyacetamide
SMILESCC[C@@H](C)c1ccc(NC(=O)COc2cnc3ccccc3n2)cc1
InChIInChI=1S/C20H21N3O2/c1-3-14(2)15-8-10-16(11-9-15)22-19(24)13-25-20-12-21-17-6-4-5-7-18(17)23-20/h4-12,14H,3,13H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyPSQJMXDEVAEKKS-CQSZACIVSA-N
XLogP4.16
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2R)-butan-2-yl]phenyl]-2-naphthalen-1-yloxyacetamide
CID 7765844
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide
CID 3653920
N-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)phenoxy]acetamide
CID 78878842
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
N-(2-bromophenyl)-2-quinoxalin-2-yloxyacetamide
CID 2096177
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834192
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844626
methyl 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]benzoate
CID 4959303
2-[4-[(2R)-butan-2-yl]phenoxy]-N-[4-(dimethylamino)phenyl]acetamide
CID 918515

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-2-quinoxalin-2-yloxyacetamide?
The IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-2-quinoxalin-2-yloxyacetamide (CID 2080749) is N-[4-[(2R)-butan-2-yl]phenyl]-2-quinoxalin-2-yloxyacetamide.
What is the SMILES notation for N-[4-[(2R)-butan-2-yl]phenyl]-2-quinoxalin-2-yloxyacetamide?
The canonical SMILES for N-[4-[(2R)-butan-2-yl]phenyl]-2-quinoxalin-2-yloxyacetamide is CC[C@@H](C)c1ccc(NC(=O)COc2cnc3ccccc3n2)cc1.
What is the InChIKey of N-[4-[(2R)-butan-2-yl]phenyl]-2-quinoxalin-2-yloxyacetamide?
The InChIKey is PSQJMXDEVAEKKS-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-14(2)15-8-10-16(11-9-15)22-19(24)13-25-20-12-21-17-6-4-5-7-18(17)23-20/h4-12,14H,3,13H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of N-[4-[(2R)-butan-2-yl]phenyl]-2-quinoxalin-2-yloxyacetamide?
N-[4-[(2R)-butan-2-yl]phenyl]-2-quinoxalin-2-yloxyacetamide has a molecular weight of 335.41 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-butan-2-yl]phenyl]-2-quinoxalin-2-yloxyacetamide is sourced from PubChem (CID 2080749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).