(2S)-N-benzyl-2-cyano-2-(3-propoxyquinoxalin-2-yl)acetamide

C21H20N4O2 — CID 7693524

IUPAC(2S)-N-benzyl-2-cyano-2-(3-propoxyquinoxalin-2-yl)acetamide
SMILESCCCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)NCc1ccccc1
InChIInChI=1S/C21H20N4O2/c1-2-12-27-21-19(24-17-10-6-7-11-18(17)25-21)16(13-22)20(26)23-14-15-8-4-3-5-9-15/h3-11,16H,2,12,14H2,1H3,(H,23,26)/t16-/m1/s1
InChIKeyLUWFOHSQAMIDFS-MRXNPFEDSA-N
MW360.42 g/mol
LogP3.34
Rot. Bonds7

About (2S)-N-benzyl-2-cyano-2-(3-propoxyquinoxalin-2-yl)acetamide

(2S)-N-benzyl-2-cyano-2-(3-propoxyquinoxalin-2-yl)acetamide (PubChem CID 7693524) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is (2S)-N-benzyl-2-cyano-2-(3-propoxyquinoxalin-2-yl)acetamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-cyano-2-(3-propoxyquinoxalin-2-yl)acetamide
PubChem CID7693524
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name(2S)-N-benzyl-2-cyano-2-(3-propoxyquinoxalin-2-yl)acetamide
SMILESCCCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)NCc1ccccc1
InChIInChI=1S/C21H20N4O2/c1-2-12-27-21-19(24-17-10-6-7-11-18(17)25-21)16(13-22)20(26)23-14-15-8-4-3-5-9-15/h3-11,16H,2,12,14H2,1H3,(H,23,26)/t16-/m1/s1
InChIKeyLUWFOHSQAMIDFS-MRXNPFEDSA-N
XLogP3.34
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-cyano-N-pentyl-2-(3-propan-2-yloxyquinoxalin-2-yl)acetamide
CID 7463029
(2R)-N-benzyl-2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetamide
CID 7367750
(2R)-2-cyano-N-(furan-2-ylmethyl)-2-(3-propan-2-yloxyquinoxalin-2-yl)acetamide
CID 7709311
(2R)-N-benzyl-2-cyano-2-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]acetamide
CID 7367749
(2S)-N-benzyl-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetamide
CID 7377779
(2S)-N-benzyl-2-cyano-2-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetamide
CID 7381848
methyl 1-[3-[(1S)-2-(benzylamino)-1-cyano-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate
CID 40837315
2-(3-chloroquinoxalin-2-yl)-2-cyano-N-(pyridin-3-ylmethyl)acetamide
CID 71561169
2-[3-(4-benzhydrylpiperazin-1-yl)quinoxalin-2-yl]-N-benzyl-2-cyanoacetamide
CID 4275700
N-benzyl-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71911030
(2S)-2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(2-methoxyethyl)acetamide
CID 7377425
2-[3-[bis(2-methylpropyl)amino]quinoxalin-2-yl]-2-cyano-N-(2-phenylethyl)acetamide
CID 3259038

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-cyano-2-(3-propoxyquinoxalin-2-yl)acetamide?
The IUPAC name of (2S)-N-benzyl-2-cyano-2-(3-propoxyquinoxalin-2-yl)acetamide (CID 7693524) is (2S)-N-benzyl-2-cyano-2-(3-propoxyquinoxalin-2-yl)acetamide.
What is the SMILES notation for (2S)-N-benzyl-2-cyano-2-(3-propoxyquinoxalin-2-yl)acetamide?
The canonical SMILES for (2S)-N-benzyl-2-cyano-2-(3-propoxyquinoxalin-2-yl)acetamide is CCCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-N-benzyl-2-cyano-2-(3-propoxyquinoxalin-2-yl)acetamide?
The InChIKey is LUWFOHSQAMIDFS-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-2-12-27-21-19(24-17-10-6-7-11-18(17)25-21)16(13-22)20(26)23-14-15-8-4-3-5-9-15/h3-11,16H,2,12,14H2,1H3,(H,23,26)/t16-/m1/s1.
What are the key properties of (2S)-N-benzyl-2-cyano-2-(3-propoxyquinoxalin-2-yl)acetamide?
(2S)-N-benzyl-2-cyano-2-(3-propoxyquinoxalin-2-yl)acetamide has a molecular weight of 360.42 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-cyano-2-(3-propoxyquinoxalin-2-yl)acetamide is sourced from PubChem (CID 7693524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).