[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylazanium

C22H26N5O3+ — CID 8779651

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C22H25N5O3/c1-4-27(15(2)22(30)26-20-8-6-5-7-17(20)13-23)14-21(29)25-19-11-9-18(10-12-19)24-16(3)28/h5-12,15H,4,14H2,1-3H3,(H,24,28)(H,25,29)(H,26,30)/p+1/t15-/m1/s1
InChIKeyFSCHBFAUJFHXMS-OAHLLOKOSA-O
MW408.48 g/mol
LogP1.39
Rot. Bonds8

About [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylazanium

[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylazanium (PubChem CID 8779651) has the molecular formula C22H26N5O3+ and a molecular weight of 408.48 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylazanium.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylazanium
PubChem CID8779651
Molecular FormulaC22H26N5O3+
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C22H25N5O3/c1-4-27(15(2)22(30)26-20-8-6-5-7-17(20)13-23)14-21(29)25-19-11-9-18(10-12-19)24-16(3)28/h5-12,15H,4,14H2,1-3H3,(H,24,28)(H,25,29)(H,26,30)/p+1/t15-/m1/s1
InChIKeyFSCHBFAUJFHXMS-OAHLLOKOSA-O
XLogP1.39
TPSA115.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium
CID 8780108
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 8791503
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9302664
2-(4-acetamidoanilino)-N-(2-cyanophenyl)acetamide
CID 109010015
[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2462072
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[benzyl(ethyl)amino]-1-oxopropan-2-yl]-ethylazanium
CID 8779685
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] propanoate
CID 7851291
N-(2-cyanophenyl)-2-ethylsulfinylpropanamide
CID 64691502
(2S)-2-amino-N-(2-cyanophenyl)butanamide
CID 79024962
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 9026866
N-(2-cyanophenyl)-2-propylsulfanylpropanamide
CID 43188543
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylazanium?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylazanium (CID 8779651) is [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylazanium.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylazanium?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylazanium is CC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)C(=O)Nc1ccccc1C#N.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylazanium?
The InChIKey is FSCHBFAUJFHXMS-OAHLLOKOSA-O. The full InChI is InChI=1S/C22H25N5O3/c1-4-27(15(2)22(30)26-20-8-6-5-7-17(20)13-23)14-21(29)25-19-11-9-18(10-12-19)24-16(3)28/h5-12,15H,4,14H2,1-3H3,(H,24,28)(H,25,29)(H,26,30)/p+1/t15-/m1/s1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylazanium?
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylazanium has a molecular weight of 408.48 g/mol, XLogP of 1.39, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-ethylazanium is sourced from PubChem (CID 8779651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).