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

C14H21N4O3+ — CID 8779879

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium
SMILESCC[NH+](CC(N)=O)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N4O3/c1-3-18(8-13(15)20)9-14(21)17-12-6-4-11(5-7-12)16-10(2)19/h4-7H,3,8-9H2,1-2H3,(H2,15,20)(H,16,19)(H,17,21)/p+1
InChIKeyCROVBPWASHOFJS-UHFFFAOYSA-O
MW293.35 g/mol
LogP-1.03
Rot. Bonds7

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

[2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium (PubChem CID 8779879) has the molecular formula C14H21N4O3+ and a molecular weight of 293.35 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium
PubChem CID8779879
Molecular FormulaC14H21N4O3+
Molecular Weight293.35 g/mol
Exact Mass293.16
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium
SMILESCC[NH+](CC(N)=O)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H20N4O3/c1-3-18(8-13(15)20)9-14(21)17-12-6-4-11(5-7-12)16-10(2)19/h4-7H,3,8-9H2,1-2H3,(H2,15,20)(H,16,19)(H,17,21)/p+1
InChIKeyCROVBPWASHOFJS-UHFFFAOYSA-O
XLogP-1.03
TPSA105.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium with MolForge

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Related Compounds

bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
CID 8780086
[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
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium
CID 2442436
[2-(4-carbamoylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 8025166

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium (CID 8779879) is [2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium is CC[NH+](CC(N)=O)CC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium?
The InChIKey is CROVBPWASHOFJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20N4O3/c1-3-18(8-13(15)20)9-14(21)17-12-6-4-11(5-7-12)16-10(2)19/h4-7H,3,8-9H2,1-2H3,(H2,15,20)(H,16,19)(H,17,21)/p+1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium?
[2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium has a molecular weight of 293.35 g/mol, XLogP of -1.03, 7 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]-(2-amino-2-oxoethyl)-ethylazanium is sourced from PubChem (CID 8779879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).