(2S)-2-cyano-N-pentyl-2-(3-propan-2-yloxyquinoxalin-2-yl)acetamide

C19H24N4O2 — CID 7463029

IUPAC(2S)-2-cyano-N-pentyl-2-(3-propan-2-yloxyquinoxalin-2-yl)acetamide
SMILESCCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1OC(C)C
InChIInChI=1S/C19H24N4O2/c1-4-5-8-11-21-18(24)14(12-20)17-19(25-13(2)3)23-16-10-7-6-9-15(16)22-17/h6-7,9-10,13-14H,4-5,8,11H2,1-3H3,(H,21,24)/t14-/m1/s1
InChIKeyHMFBJAUHRWHSFY-CQSZACIVSA-N
MW340.43 g/mol
LogP3.33
Rot. Bonds8

About (2S)-2-cyano-N-pentyl-2-(3-propan-2-yloxyquinoxalin-2-yl)acetamide

(2S)-2-cyano-N-pentyl-2-(3-propan-2-yloxyquinoxalin-2-yl)acetamide (PubChem CID 7463029) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2S)-2-cyano-N-pentyl-2-(3-propan-2-yloxyquinoxalin-2-yl)acetamide.

Molecular Properties

Compound Name(2S)-2-cyano-N-pentyl-2-(3-propan-2-yloxyquinoxalin-2-yl)acetamide
PubChem CID7463029
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(2S)-2-cyano-N-pentyl-2-(3-propan-2-yloxyquinoxalin-2-yl)acetamide
SMILESCCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1OC(C)C
InChIInChI=1S/C19H24N4O2/c1-4-5-8-11-21-18(24)14(12-20)17-19(25-13(2)3)23-16-10-7-6-9-15(16)22-17/h6-7,9-10,13-14H,4-5,8,11H2,1-3H3,(H,21,24)/t14-/m1/s1
InChIKeyHMFBJAUHRWHSFY-CQSZACIVSA-N
XLogP3.33
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[bis(2-methylpropyl)amino]quinoxalin-2-yl]-N-butyl-2-cyanoacetamide
CID 3820060
2-cyano-2-[3-(diethylamino)quinoxalin-2-yl]-N-hexylacetamide
CID 3295411
2-cyano-N-hexyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 2999890
(2S)-N-benzyl-2-cyano-2-(3-propoxyquinoxalin-2-yl)acetamide
CID 7693524
N-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide
CID 3606790
(2S)-2-cyano-2-[3-(dibutylamino)quinoxalin-2-yl]-N-(2-methoxyethyl)acetamide
CID 7377425
(2S)-2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyano-N-hexylacetamide
CID 40808095
pentyl (2R)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate
CID 7463399
(2R)-N-butyl-2-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide
CID 41031489
N-butyl-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetamide
CID 3847897
2-methylpropyl (2S)-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetate
CID 7463424
(2R)-N-butyl-2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetamide
CID 41030750

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyano-N-pentyl-2-(3-propan-2-yloxyquinoxalin-2-yl)acetamide?
The IUPAC name of (2S)-2-cyano-N-pentyl-2-(3-propan-2-yloxyquinoxalin-2-yl)acetamide (CID 7463029) is (2S)-2-cyano-N-pentyl-2-(3-propan-2-yloxyquinoxalin-2-yl)acetamide.
What is the SMILES notation for (2S)-2-cyano-N-pentyl-2-(3-propan-2-yloxyquinoxalin-2-yl)acetamide?
The canonical SMILES for (2S)-2-cyano-N-pentyl-2-(3-propan-2-yloxyquinoxalin-2-yl)acetamide is CCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1OC(C)C.
What is the InChIKey of (2S)-2-cyano-N-pentyl-2-(3-propan-2-yloxyquinoxalin-2-yl)acetamide?
The InChIKey is HMFBJAUHRWHSFY-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-4-5-8-11-21-18(24)14(12-20)17-19(25-13(2)3)23-16-10-7-6-9-15(16)22-17/h6-7,9-10,13-14H,4-5,8,11H2,1-3H3,(H,21,24)/t14-/m1/s1.
What are the key properties of (2S)-2-cyano-N-pentyl-2-(3-propan-2-yloxyquinoxalin-2-yl)acetamide?
(2S)-2-cyano-N-pentyl-2-(3-propan-2-yloxyquinoxalin-2-yl)acetamide has a molecular weight of 340.43 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyano-N-pentyl-2-(3-propan-2-yloxyquinoxalin-2-yl)acetamide is sourced from PubChem (CID 7463029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).