[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate

C25H28N4O5 — CID 51465991

IUPAC[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate
SMILESCCNC(=O)NC(=O)[C@@H](C)OC(=O)CCc1nc2ccccc2n(CCc2ccccc2)c1=O
InChIInChI=1S/C25H28N4O5/c1-3-26-25(33)28-23(31)17(2)34-22(30)14-13-20-24(32)29(16-15-18-9-5-4-6-10-18)21-12-8-7-11-19(21)27-20/h4-12,17H,3,13-16H2,1-2H3,(H2,26,28,31,33)/t17-/m1/s1
InChIKeyWVNZBPCWZINLLG-QGZVFWFLSA-N
MW464.52 g/mol
LogP2.35
Rot. Bonds9

About [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate

[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate (PubChem CID 51465991) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate.

Molecular Properties

Compound Name[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate
PubChem CID51465991
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate
SMILESCCNC(=O)NC(=O)[C@@H](C)OC(=O)CCc1nc2ccccc2n(CCc2ccccc2)c1=O
InChIInChI=1S/C25H28N4O5/c1-3-26-25(33)28-23(31)17(2)34-22(30)14-13-20-24(32)29(16-15-18-9-5-4-6-10-18)21-12-8-7-11-19(21)27-20/h4-12,17H,3,13-16H2,1-2H3,(H2,26,28,31,33)/t17-/m1/s1
InChIKeyWVNZBPCWZINLLG-QGZVFWFLSA-N
XLogP2.35
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate
CID 55307216
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CID 7637836
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 7637785
[1-(azepan-1-yl)-1-oxopropan-2-yl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 55420742
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate
CID 55540214
3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid
CID 2432558
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate
CID 8860288
(2R)-N-(ethylcarbamoyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2571317
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 55366984
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide
CID 17468824
N-[[(2S)-oxolan-2-yl]methyl]-3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanamide
CID 8850288
[2-(4-ethylphenyl)-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate
CID 55308579

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate?
The IUPAC name of [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate (CID 51465991) is [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate.
What is the SMILES notation for [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate?
The canonical SMILES for [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate is CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCc1nc2ccccc2n(CCc2ccccc2)c1=O.
What is the InChIKey of [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate?
The InChIKey is WVNZBPCWZINLLG-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-3-26-25(33)28-23(31)17(2)34-22(30)14-13-20-24(32)29(16-15-18-9-5-4-6-10-18)21-12-8-7-11-19(21)27-20/h4-12,17H,3,13-16H2,1-2H3,(H2,26,28,31,33)/t17-/m1/s1.
What are the key properties of [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate?
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate has a molecular weight of 464.52 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate is sourced from PubChem (CID 51465991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).