N-(2-ethylhexyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide

C20H29N3O3 — CID 55358602

IUPACN-(2-ethylhexyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
SMILESCCCCC(CC)CNC(=O)CCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C20H29N3O3/c1-3-5-8-15(4-2)13-21-18(24)11-12-20(26)23-14-19(25)22-16-9-6-7-10-17(16)23/h6-7,9-10,15H,3-5,8,11-14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyZNVKTZPFWKMWNA-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.08
Rot. Bonds9

About N-(2-ethylhexyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide

N-(2-ethylhexyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide (PubChem CID 55358602) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(2-ethylhexyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
PubChem CID55358602
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-(2-ethylhexyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
SMILESCCCCC(CC)CNC(=O)CCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C20H29N3O3/c1-3-5-8-15(4-2)13-21-18(24)11-12-20(26)23-14-19(25)22-16-9-6-7-10-17(16)23/h6-7,9-10,15H,3-5,8,11-14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyZNVKTZPFWKMWNA-UHFFFAOYSA-N
XLogP3.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
The IUPAC name of N-(2-ethylhexyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide (CID 55358602) is N-(2-ethylhexyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide.
What is the SMILES notation for N-(2-ethylhexyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
The canonical SMILES for N-(2-ethylhexyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide is CCCCC(CC)CNC(=O)CCC(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of N-(2-ethylhexyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
The InChIKey is ZNVKTZPFWKMWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-3-5-8-15(4-2)13-21-18(24)11-12-20(26)23-14-19(25)22-16-9-6-7-10-17(16)23/h6-7,9-10,15H,3-5,8,11-14H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(2-ethylhexyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide?
N-(2-ethylhexyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide has a molecular weight of 359.47 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide is sourced from PubChem (CID 55358602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).