[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium

C24H27N4O3+ — CID 2470771

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C24H26N4O3/c1-3-28(15-23(30)26-20-13-11-19(12-14-20)25-17(2)29)16-24(31)27-22-10-6-8-18-7-4-5-9-21(18)22/h4-14H,3,15-16H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)/p+1
InChIKeyLUOUKICJYBSSFY-UHFFFAOYSA-O
MW419.51 g/mol
LogP2.28
Rot. Bonds8

About [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium

[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium (PubChem CID 2470771) has the molecular formula C24H27N4O3+ and a molecular weight of 419.51 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
PubChem CID2470771
Molecular FormulaC24H27N4O3+
Molecular Weight419.51 g/mol
Exact Mass419.21
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
SMILESCC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C24H26N4O3/c1-3-28(15-23(30)26-20-13-11-19(12-14-20)25-17(2)29)16-24(31)27-22-10-6-8-18-7-4-5-9-21(18)22/h4-14H,3,15-16H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)/p+1
InChIKeyLUOUKICJYBSSFY-UHFFFAOYSA-O
XLogP2.28
TPSA91.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium with MolForge

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Related Compounds

bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
CID 8780086
N-(4-acetamidophenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9423860
ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2580437
[2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium
CID 8779879
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium
CID 8779933
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8791293
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
(2-anilino-2-oxoethyl)-ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9031029
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 8025166
2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 60593466
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium
CID 9254626

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium (CID 2470771) is [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium is CC[NH+](CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1cccc2ccccc12.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium?
The InChIKey is LUOUKICJYBSSFY-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H26N4O3/c1-3-28(15-23(30)26-20-13-11-19(12-14-20)25-17(2)29)16-24(31)27-22-10-6-8-18-7-4-5-9-21(18)22/h4-14H,3,15-16H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)/p+1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium?
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium has a molecular weight of 419.51 g/mol, XLogP of 2.28, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 2470771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).