N-ethyl-N-(3-methylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C20H21N3O2 — CID 110757297

IUPACN-ethyl-N-(3-methylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCCN(C(=O)CCc1nc2ccccc2[nH]c1=O)c1cccc(C)c1
InChIInChI=1S/C20H21N3O2/c1-3-23(15-8-6-7-14(2)13-15)19(24)12-11-18-20(25)22-17-10-5-4-9-16(17)21-18/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyNZPZLYIYEQROIO-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.22
Rot. Bonds5

About N-ethyl-N-(3-methylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-ethyl-N-(3-methylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 110757297) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID110757297
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-ethyl-N-(3-methylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESCCN(C(=O)CCc1nc2ccccc2[nH]c1=O)c1cccc(C)c1
InChIInChI=1S/C20H21N3O2/c1-3-23(15-8-6-7-14(2)13-15)19(24)12-11-18-20(25)22-17-10-5-4-9-16(17)21-18/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)
InChIKeyNZPZLYIYEQROIO-UHFFFAOYSA-N
XLogP3.22
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide
CID 110428645
N-ethyl-N-(oxan-4-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 72932473
N-(4-methyl-2-pyridinyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164738
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666
N-(2-ethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164668
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)-N-pyrrolidin-3-ylpropanamide
CID 82177043
N-ethyl-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 135963918
ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate
CID 60737731
3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110799968
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)butanamide
CID 930030

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 110757297) is N-ethyl-N-(3-methylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is CCN(C(=O)CCc1nc2ccccc2[nH]c1=O)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is NZPZLYIYEQROIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-23(15-8-6-7-14(2)13-15)19(24)12-11-18-20(25)22-17-10-5-4-9-16(17)21-18/h4-10,13H,3,11-12H2,1-2H3,(H,22,25).
What are the key properties of N-ethyl-N-(3-methylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-ethyl-N-(3-methylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 110757297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).