2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate

C16H28N2O8 — CID 140985984

IUPAC2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate
SMILESCCCC(C)(C)OC(=O)C(=O)NOONC(=O)C(=O)OC(C)(C)CCC
InChIInChI=1S/C16H28N2O8/c1-7-9-15(3,4)23-13(21)11(19)17-25-26-18-12(20)14(22)24-16(5,6)10-8-2/h7-10H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyOGAJFNCZEDMWNL-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.24
Rot. Bonds9

About 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate

2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate (PubChem CID 140985984) has the molecular formula C16H28N2O8 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate.

Molecular Properties

Compound Name2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate
PubChem CID140985984
Molecular FormulaC16H28N2O8
Molecular Weight376.41 g/mol
Exact Mass376.18
IUPAC Name2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate
SMILESCCCC(C)(C)OC(=O)C(=O)NOONC(=O)C(=O)OC(C)(C)CCC
InChIInChI=1S/C16H28N2O8/c1-7-9-15(3,4)23-13(21)11(19)17-25-26-18-12(20)14(22)24-16(5,6)10-8-2/h7-10H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyOGAJFNCZEDMWNL-UHFFFAOYSA-N
XLogP1.24
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate with MolForge

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Related Compounds

2-(2-methylpentan-2-yloxy)-2-oxoethaneperoxoic acid
CID 23227587
2-methylpentan-2-yl 2-[(2-amino-2-methylpropanoyl)amino]acetate
CID 170224107
2-methylpentan-2-yl 2-methylpentan-2-yloxy carbonate
CID 171749588
2-methylpentan-2-yl 2-methylhexanoate
CID 174502235
2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873
2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate
CID 155665020
2-methylpentan-2-yl 3-iodopropanoate
CID 121429219
2-methylhexan-2-yl N-aminocarbamate
CID 163750703
2-methyloctan-2-yl 2-methylbut-2-enoate
CID 91346292
2-methylpentan-2-yl 2,2-dimethyl-3-(2-methylpentan-2-yloxy)propanoate
CID 141354214
2-methylhexan-2-yl 2-hydroxypropanoate
CID 140737636
2-ethyl-2-methylpentanamide
CID 22376566

Frequently Asked Questions

What is the IUPAC name of 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate?
The IUPAC name of 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate (CID 140985984) is 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate.
What is the SMILES notation for 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate?
The canonical SMILES for 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate is CCCC(C)(C)OC(=O)C(=O)NOONC(=O)C(=O)OC(C)(C)CCC.
What is the InChIKey of 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate?
The InChIKey is OGAJFNCZEDMWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O8/c1-7-9-15(3,4)23-13(21)11(19)17-25-26-18-12(20)14(22)24-16(5,6)10-8-2/h7-10H2,1-6H3,(H,17,19)(H,18,20).
What are the key properties of 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate?
2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate has a molecular weight of 376.41 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-2-yl 2-[[[2-(2-methylpentan-2-yloxy)-2-oxoacetyl]amino]peroxyamino]-2-oxoacetate is sourced from PubChem (CID 140985984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).