[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium

C24H33N4O3+ — CID 8779685

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium
SMILESCCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C24H32N4O3/c1-5-27(17-23(30)26-22-14-12-21(13-15-22)25-19(4)29)18(3)24(31)28(6-2)16-20-10-8-7-9-11-20/h7-15,18H,5-6,16-17H2,1-4H3,(H,25,29)(H,26,30)/p+1/t18-/m1/s1
InChIKeyFLGFJTGKLLSMOG-GOSISDBHSA-O
MW425.55 g/mol
LogP1.93
Rot. Bonds10

About [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium

[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium (PubChem CID 8779685) has the molecular formula C24H33N4O3+ and a molecular weight of 425.55 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium
PubChem CID8779685
Molecular FormulaC24H33N4O3+
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium
SMILESCCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C24H32N4O3/c1-5-27(17-23(30)26-22-14-12-21(13-15-22)25-19(4)29)18(3)24(31)28(6-2)16-20-10-8-7-9-11-20/h7-15,18H,5-6,16-17H2,1-4H3,(H,25,29)(H,26,30)/p+1/t18-/m1/s1
InChIKeyFLGFJTGKLLSMOG-GOSISDBHSA-O
XLogP1.93
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium with MolForge

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Related Compounds

[(2S)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9252927
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]azanium
CID 8791451
[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-[2-(2-chloroanilino)-2-oxoethyl]-methylazanium
CID 9036580
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium
CID 8779683
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 8791503
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium
CID 8780108
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylazanium
CID 8779651
N-benzyl-N-ethyl-4-(propanoylamino)benzamide
CID 17257316
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylazanium
CID 11933173
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium
CID 8791398
N-benzyl-2-bromo-N-ethylpropanamide
CID 82108939
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylbenzamide
CID 18077820

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium (CID 8779685) is [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium is CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+](CC)CC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium?
The InChIKey is FLGFJTGKLLSMOG-GOSISDBHSA-O. The full InChI is InChI=1S/C24H32N4O3/c1-5-27(17-23(30)26-22-14-12-21(13-15-22)25-19(4)29)18(3)24(31)28(6-2)16-20-10-8-7-9-11-20/h7-15,18H,5-6,16-17H2,1-4H3,(H,25,29)(H,26,30)/p+1/t18-/m1/s1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium?
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium has a molecular weight of 425.55 g/mol, XLogP of 1.93, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium is sourced from PubChem (CID 8779685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).