bis(2-amino-2-oxoethyl)-[2-[2-[bis(2-amino-2-oxoethyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]azanium

C26H51N8O8+ — CID 90998721

IUPACbis(2-amino-2-oxoethyl)-[2-[2-[bis(2-amino-2-oxoethyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]azanium
SMILESCC(C)(C)OC(=O)CNCC[N+](CCN(CCN(CC(N)=O)CC(N)=O)CC(=O)OC(C)(C)C)(CC(N)=O)CC(N)=O
InChIInChI=1S/C26H50N8O8/c1-25(2,3)41-23(39)13-31-7-11-34(17-21(29)37,18-22(30)38)12-10-32(16-24(40)42-26(4,5)6)8-9-33(14-19(27)35)15-20(28)36/h31H,7-18H2,1-6H3,(H7-,27,28,29,30,35,36,37,38)/p+1
InChIKeyOLHYUBXUYMZCMG-UHFFFAOYSA-O
MW603.74 g/mol
LogP-3.38
Rot. Bonds21

About bis(2-amino-2-oxoethyl)-[2-[2-[bis(2-amino-2-oxoethyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]azanium

bis(2-amino-2-oxoethyl)-[2-[2-[bis(2-amino-2-oxoethyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]azanium (PubChem CID 90998721) has the molecular formula C26H51N8O8+ and a molecular weight of 603.74 g/mol. Its IUPAC name is bis(2-amino-2-oxoethyl)-[2-[2-[bis(2-amino-2-oxoethyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]azanium.

Molecular Properties

Compound Namebis(2-amino-2-oxoethyl)-[2-[2-[bis(2-amino-2-oxoethyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]azanium
PubChem CID90998721
Molecular FormulaC26H51N8O8+
Molecular Weight603.74 g/mol
Exact Mass603.38
IUPAC Namebis(2-amino-2-oxoethyl)-[2-[2-[bis(2-amino-2-oxoethyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]azanium
SMILESCC(C)(C)OC(=O)CNCC[N+](CCN(CCN(CC(N)=O)CC(N)=O)CC(=O)OC(C)(C)C)(CC(N)=O)CC(N)=O
InChIInChI=1S/C26H50N8O8/c1-25(2,3)41-23(39)13-31-7-11-34(17-21(29)37,18-22(30)38)12-10-32(16-24(40)42-26(4,5)6)8-9-33(14-19(27)35)15-20(28)36/h31H,7-18H2,1-6H3,(H7-,27,28,29,30,35,36,37,38)/p+1
InChIKeyOLHYUBXUYMZCMG-UHFFFAOYSA-O
XLogP-3.38
TPSA243.47 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.74
LogP ≤ 5-3.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze bis(2-amino-2-oxoethyl)-[2-[2-[bis(2-amino-2-oxoethyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-amino-2-oxoethyl)-[2-[2-[bis(2-amino-2-oxoethyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]azanium?
The IUPAC name of bis(2-amino-2-oxoethyl)-[2-[2-[bis(2-amino-2-oxoethyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]azanium (CID 90998721) is bis(2-amino-2-oxoethyl)-[2-[2-[bis(2-amino-2-oxoethyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]azanium.
What is the SMILES notation for bis(2-amino-2-oxoethyl)-[2-[2-[bis(2-amino-2-oxoethyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]azanium?
The canonical SMILES for bis(2-amino-2-oxoethyl)-[2-[2-[bis(2-amino-2-oxoethyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]azanium is CC(C)(C)OC(=O)CNCC[N+](CCN(CCN(CC(N)=O)CC(N)=O)CC(=O)OC(C)(C)C)(CC(N)=O)CC(N)=O.
What is the InChIKey of bis(2-amino-2-oxoethyl)-[2-[2-[bis(2-amino-2-oxoethyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]azanium?
The InChIKey is OLHYUBXUYMZCMG-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H50N8O8/c1-25(2,3)41-23(39)13-31-7-11-34(17-21(29)37,18-22(30)38)12-10-32(16-24(40)42-26(4,5)6)8-9-33(14-19(27)35)15-20(28)36/h31H,7-18H2,1-6H3,(H7-,27,28,29,30,35,36,37,38)/p+1.
What are the key properties of bis(2-amino-2-oxoethyl)-[2-[2-[bis(2-amino-2-oxoethyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]azanium?
bis(2-amino-2-oxoethyl)-[2-[2-[bis(2-amino-2-oxoethyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]azanium has a molecular weight of 603.74 g/mol, XLogP of -3.38, 21 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-amino-2-oxoethyl)-[2-[2-[bis(2-amino-2-oxoethyl)amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]azanium is sourced from PubChem (CID 90998721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).