[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium

C13H20N3O2+ — CID 9254626

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium
SMILESCC[NH+](C)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H19N3O2/c1-4-16(3)9-13(18)15-12-7-5-11(6-8-12)14-10(2)17/h5-8H,4,9H2,1-3H3,(H,14,17)(H,15,18)/p+1
InChIKeyPXAMETOETBFRQE-UHFFFAOYSA-O
MW250.32 g/mol
LogP0.12
Rot. Bonds5

About [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium

[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium (PubChem CID 9254626) has the molecular formula C13H20N3O2+ and a molecular weight of 250.32 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium
PubChem CID9254626
Molecular FormulaC13H20N3O2+
Molecular Weight250.32 g/mol
Exact Mass250.16
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium
SMILESCC[NH+](C)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H19N3O2/c1-4-16(3)9-13(18)15-12-7-5-11(6-8-12)14-10(2)17/h5-8H,4,9H2,1-3H3,(H,14,17)(H,15,18)/p+1
InChIKeyPXAMETOETBFRQE-UHFFFAOYSA-O
XLogP0.12
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
CID 8780086
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253430
[2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium
CID 8779879
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 8791503
3-(4-acetamidoanilino)-3-oxopropanoic acid
CID 55049633
[2-(4-acetylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222899
[2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium
CID 8766689
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8818470
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium
CID 8780108
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2470771
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(1S)-1-(4-fluorophenyl)ethyl]azanium
CID 8791369
N-(4-acetamidophenyl)hexanamide
CID 4953736

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium (CID 9254626) is [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium is CC[NH+](C)CC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium?
The InChIKey is PXAMETOETBFRQE-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H19N3O2/c1-4-16(3)9-13(18)15-12-7-5-11(6-8-12)14-10(2)17/h5-8H,4,9H2,1-3H3,(H,14,17)(H,15,18)/p+1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium?
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium has a molecular weight of 250.32 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium is sourced from PubChem (CID 9254626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).