ethyl 4-[[2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxy]acetyl]amino]butanoate

C23H31N3O6 — CID 55308605

IUPACethyl 4-[[2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxy]acetyl]amino]butanoate
SMILESCCCCn1c(=O)c(CCC(=O)OCC(=O)NCCCC(=O)OCC)nc2ccccc21
InChIInChI=1S/C23H31N3O6/c1-3-5-15-26-19-10-7-6-9-17(19)25-18(23(26)30)12-13-22(29)32-16-20(27)24-14-8-11-21(28)31-4-2/h6-7,9-10H,3-5,8,11-16H2,1-2H3,(H,24,27)
InChIKeyPVEVOVKEAWCOMJ-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.13
Rot. Bonds13

About ethyl 4-[[2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxy]acetyl]amino]butanoate

ethyl 4-[[2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxy]acetyl]amino]butanoate (PubChem CID 55308605) has the molecular formula C23H31N3O6 and a molecular weight of 445.52 g/mol. Its IUPAC name is ethyl 4-[[2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxy]acetyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[[2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxy]acetyl]amino]butanoate
PubChem CID55308605
Molecular FormulaC23H31N3O6
Molecular Weight445.52 g/mol
Exact Mass445.22
IUPAC Nameethyl 4-[[2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxy]acetyl]amino]butanoate
SMILESCCCCn1c(=O)c(CCC(=O)OCC(=O)NCCCC(=O)OCC)nc2ccccc21
InChIInChI=1S/C23H31N3O6/c1-3-5-15-26-19-10-7-6-9-17(19)25-18(23(26)30)12-13-22(29)32-16-20(27)24-14-8-11-21(28)31-4-2/h6-7,9-10H,3-5,8,11-16H2,1-2H3,(H,24,27)
InChIKeyPVEVOVKEAWCOMJ-UHFFFAOYSA-N
XLogP2.13
TPSA116.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 4-[[2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxy]acetyl]amino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-fluorophenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 7637882
[2-(4-ethylphenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 55308579
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 46606953
3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid
CID 2432558
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 2414714
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 55308567
[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 55308516
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 2557186
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 16610750
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 7637836
ethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate
CID 4640836
ethyl 4-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]butanoate
CID 51139099

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxy]acetyl]amino]butanoate?
The IUPAC name of ethyl 4-[[2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxy]acetyl]amino]butanoate (CID 55308605) is ethyl 4-[[2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxy]acetyl]amino]butanoate.
What is the SMILES notation for ethyl 4-[[2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxy]acetyl]amino]butanoate?
The canonical SMILES for ethyl 4-[[2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxy]acetyl]amino]butanoate is CCCCn1c(=O)c(CCC(=O)OCC(=O)NCCCC(=O)OCC)nc2ccccc21.
What is the InChIKey of ethyl 4-[[2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxy]acetyl]amino]butanoate?
The InChIKey is PVEVOVKEAWCOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O6/c1-3-5-15-26-19-10-7-6-9-17(19)25-18(23(26)30)12-13-22(29)32-16-20(27)24-14-8-11-21(28)31-4-2/h6-7,9-10H,3-5,8,11-16H2,1-2H3,(H,24,27).
What are the key properties of ethyl 4-[[2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxy]acetyl]amino]butanoate?
ethyl 4-[[2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxy]acetyl]amino]butanoate has a molecular weight of 445.52 g/mol, XLogP of 2.13, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[3-(4-butyl-3-oxoquinoxalin-2-yl)propanoyloxy]acetyl]amino]butanoate is sourced from PubChem (CID 55308605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).