N-(2-methylphenyl)-2-[(2R)-3-oxo-1-prop-2-enyl-2,4-dihydroquinoxalin-2-yl]acetamide

C20H21N3O2 — CID 25393557

IUPACN-(2-methylphenyl)-2-[(2R)-3-oxo-1-prop-2-enyl-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESC=CCN1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccccc1C
InChIInChI=1S/C20H21N3O2/c1-3-12-23-17-11-7-6-10-16(17)22-20(25)18(23)13-19(24)21-15-9-5-4-8-14(15)2/h3-11,18H,1,12-13H2,2H3,(H,21,24)(H,22,25)/t18-/m1/s1
InChIKeyWKNUJMFTMRHQIR-GOSISDBHSA-N
MW335.41 g/mol
LogP3.34
Rot. Bonds5

About N-(2-methylphenyl)-2-[(2R)-3-oxo-1-prop-2-enyl-2,4-dihydroquinoxalin-2-yl]acetamide

N-(2-methylphenyl)-2-[(2R)-3-oxo-1-prop-2-enyl-2,4-dihydroquinoxalin-2-yl]acetamide (PubChem CID 25393557) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[(2R)-3-oxo-1-prop-2-enyl-2,4-dihydroquinoxalin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[(2R)-3-oxo-1-prop-2-enyl-2,4-dihydroquinoxalin-2-yl]acetamide
PubChem CID25393557
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(2-methylphenyl)-2-[(2R)-3-oxo-1-prop-2-enyl-2,4-dihydroquinoxalin-2-yl]acetamide
SMILESC=CCN1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccccc1C
InChIInChI=1S/C20H21N3O2/c1-3-12-23-17-11-7-6-10-16(17)22-20(25)18(23)13-19(24)21-15-9-5-4-8-14(15)2/h3-11,18H,1,12-13H2,2H3,(H,21,24)(H,22,25)/t18-/m1/s1
InChIKeyWKNUJMFTMRHQIR-GOSISDBHSA-N
XLogP3.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-2-[(2S)-1-[(2-fluorophenyl)methyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 8024059
N-(4-acetylphenyl)-2-(1-ethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetamide
CID 17405826
2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-N-(2-methylphenyl)acetamide
CID 171347082
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(2-methylphenyl)acetamide
CID 75465802
N-(4-bromophenyl)-2-[(2R)-1-(2-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34316442
N-(2-ethoxyphenyl)-2-[(2S)-1-nitroso-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 7079926
N-(2-methoxyphenyl)-2-[(2R)-3-oxo-1-(2,4,6-trimethylphenyl)sulfonyl-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1098720
N-(2-methylphenyl)-3-oxo-3-[(3S)-2-oxo-1,3-dihydroindol-3-yl]propanamide
CID 2337508
N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1095970
N-(4-methylphenyl)-2-[(2S)-3-oxo-1-(1,3-thiazol-4-ylmethyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 41141661
2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide
CID 34307432
N-(2-methoxy-4-nitrophenyl)-2-[(2R)-1-[2-(4-methylanilino)-2-oxoethyl]-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 26888149

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[(2R)-3-oxo-1-prop-2-enyl-2,4-dihydroquinoxalin-2-yl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[(2R)-3-oxo-1-prop-2-enyl-2,4-dihydroquinoxalin-2-yl]acetamide (CID 25393557) is N-(2-methylphenyl)-2-[(2R)-3-oxo-1-prop-2-enyl-2,4-dihydroquinoxalin-2-yl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[(2R)-3-oxo-1-prop-2-enyl-2,4-dihydroquinoxalin-2-yl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[(2R)-3-oxo-1-prop-2-enyl-2,4-dihydroquinoxalin-2-yl]acetamide is C=CCN1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccccc1C.
What is the InChIKey of N-(2-methylphenyl)-2-[(2R)-3-oxo-1-prop-2-enyl-2,4-dihydroquinoxalin-2-yl]acetamide?
The InChIKey is WKNUJMFTMRHQIR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-12-23-17-11-7-6-10-16(17)22-20(25)18(23)13-19(24)21-15-9-5-4-8-14(15)2/h3-11,18H,1,12-13H2,2H3,(H,21,24)(H,22,25)/t18-/m1/s1.
What are the key properties of N-(2-methylphenyl)-2-[(2R)-3-oxo-1-prop-2-enyl-2,4-dihydroquinoxalin-2-yl]acetamide?
N-(2-methylphenyl)-2-[(2R)-3-oxo-1-prop-2-enyl-2,4-dihydroquinoxalin-2-yl]acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[(2R)-3-oxo-1-prop-2-enyl-2,4-dihydroquinoxalin-2-yl]acetamide is sourced from PubChem (CID 25393557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).