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

C22H26N4O3 — CID 120886014

IUPACN-(2-aminoethyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(2-phenylethyl)butanamide
SMILESNCCN(CCc1ccccc1)C(=O)CCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C22H26N4O3/c23-13-15-25(14-12-17-6-2-1-3-7-17)21(28)10-11-22(29)26-16-20(27)24-18-8-4-5-9-19(18)26/h1-9H,10-16,23H2,(H,24,27)
InChIKeyLTVJEVDAZIWUAV-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.78
Rot. Bonds8

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

N-(2-aminoethyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(2-phenylethyl)butanamide (PubChem CID 120886014) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(2-phenylethyl)butanamide
PubChem CID120886014
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-(2-aminoethyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(2-phenylethyl)butanamide
SMILESNCCN(CCc1ccccc1)C(=O)CCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C22H26N4O3/c23-13-15-25(14-12-17-6-2-1-3-7-17)21(28)10-11-22(29)26-16-20(27)24-18-8-4-5-9-19(18)26/h1-9H,10-16,23H2,(H,24,27)
InChIKeyLTVJEVDAZIWUAV-UHFFFAOYSA-N
XLogP1.78
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(2-phenylethyl)butanamide with MolForge

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Related Compounds

4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 51280680
4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one
CID 28822275
1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione
CID 31952076
4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453577
4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453973
ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one
CID 163261620
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 35623009
N-ethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 32582532
4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 80587760
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 34577612
4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9390348
N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(2-phenylethyl)butanamide;hydrochloride
CID 120886789

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(2-phenylethyl)butanamide?
The IUPAC name of N-(2-aminoethyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(2-phenylethyl)butanamide (CID 120886014) is N-(2-aminoethyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(2-phenylethyl)butanamide.
What is the SMILES notation for N-(2-aminoethyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(2-phenylethyl)butanamide?
The canonical SMILES for N-(2-aminoethyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(2-phenylethyl)butanamide is NCCN(CCc1ccccc1)C(=O)CCC(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of N-(2-aminoethyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(2-phenylethyl)butanamide?
The InChIKey is LTVJEVDAZIWUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c23-13-15-25(14-12-17-6-2-1-3-7-17)21(28)10-11-22(29)26-16-20(27)24-18-8-4-5-9-19(18)26/h1-9H,10-16,23H2,(H,24,27).
What are the key properties of N-(2-aminoethyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(2-phenylethyl)butanamide?
N-(2-aminoethyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(2-phenylethyl)butanamide has a molecular weight of 394.48 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 120886014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).