[2-[[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]azanium

C12H22N3O6+ — CID 59381508

IUPAC[2-[[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]azanium
SMILESCCOC(=O)CC(NC(=O)CNC(=O)C[NH3+])C(=O)OCC
InChIInChI=1S/C12H21N3O6/c1-3-20-11(18)5-8(12(19)21-4-2)15-10(17)7-14-9(16)6-13/h8H,3-7,13H2,1-2H3,(H,14,16)(H,15,17)/p+1
InChIKeyRXEVTHMQMQAMOE-UHFFFAOYSA-O
MW304.32 g/mol
LogP-2.65
Rot. Bonds9

About [2-[[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]azanium

[2-[[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]azanium (PubChem CID 59381508) has the molecular formula C12H22N3O6+ and a molecular weight of 304.32 g/mol. Its IUPAC name is [2-[[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-[[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]azanium
PubChem CID59381508
Molecular FormulaC12H22N3O6+
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name[2-[[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]azanium
SMILESCCOC(=O)CC(NC(=O)CNC(=O)C[NH3+])C(=O)OCC
InChIInChI=1S/C12H21N3O6/c1-3-20-11(18)5-8(12(19)21-4-2)15-10(17)7-14-9(16)6-13/h8H,3-7,13H2,1-2H3,(H,14,16)(H,15,17)/p+1
InChIKeyRXEVTHMQMQAMOE-UHFFFAOYSA-O
XLogP-2.65
TPSA138.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 5-2.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]azanium?
The IUPAC name of [2-[[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]azanium (CID 59381508) is [2-[[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-[[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]azanium?
The canonical SMILES for [2-[[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]azanium is CCOC(=O)CC(NC(=O)CNC(=O)C[NH3+])C(=O)OCC.
What is the InChIKey of [2-[[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]azanium?
The InChIKey is RXEVTHMQMQAMOE-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H21N3O6/c1-3-20-11(18)5-8(12(19)21-4-2)15-10(17)7-14-9(16)6-13/h8H,3-7,13H2,1-2H3,(H,14,16)(H,15,17)/p+1.
What are the key properties of [2-[[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]azanium?
[2-[[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]azanium has a molecular weight of 304.32 g/mol, XLogP of -2.65, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]azanium is sourced from PubChem (CID 59381508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).