bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium

C22H28N5O4+ — CID 8780086

IUPACbis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H27N5O4/c1-4-27(13-21(30)25-19-9-5-17(6-10-19)23-15(2)28)14-22(31)26-20-11-7-18(8-12-20)24-16(3)29/h5-12H,4,13-14H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,26,31)/p+1
InChIKeyPPGDSFANHXTAHR-UHFFFAOYSA-O
MW426.50 g/mol
LogP1.09
Rot. Bonds9

About bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium

bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium (PubChem CID 8780086) has the molecular formula C22H28N5O4+ and a molecular weight of 426.50 g/mol. Its IUPAC name is bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium.

Molecular Properties

Compound Namebis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
PubChem CID8780086
Molecular FormulaC22H28N5O4+
Molecular Weight426.50 g/mol
Exact Mass426.21
IUPAC Namebis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C22H27N5O4/c1-4-27(13-21(30)25-19-9-5-17(6-10-19)23-15(2)28)14-22(31)26-20-11-7-18(8-12-20)24-16(3)29/h5-12H,4,13-14H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,26,31)/p+1
InChIKeyPPGDSFANHXTAHR-UHFFFAOYSA-O
XLogP1.09
TPSA120.84 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 51.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium
CID 8779879
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium
CID 9254626
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2470771
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]azanium
CID 8779589
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium
CID 8779933
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-ethylazanium
CID 8791276
[2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
CID 8796493
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]azanium
CID 8791256
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8791293
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(2-chlorophenoxy)ethyl]-ethylazanium
CID 8779437
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(2-fluorophenyl)sulfanylethyl]azanium
CID 8791356
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 8780128

Frequently Asked Questions

What is the IUPAC name of bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium?
The IUPAC name of bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium (CID 8780086) is bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium.
What is the SMILES notation for bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium?
The canonical SMILES for bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium is CC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium?
The InChIKey is PPGDSFANHXTAHR-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H27N5O4/c1-4-27(13-21(30)25-19-9-5-17(6-10-19)23-15(2)28)14-22(31)26-20-11-7-18(8-12-20)24-16(3)29/h5-12H,4,13-14H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,26,31)/p+1.
What are the key properties of bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium?
bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium has a molecular weight of 426.50 g/mol, XLogP of 1.09, 9 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium is sourced from PubChem (CID 8780086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).