tert-butyl N-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-hydroxycarbamate

C13H21N3O6 — CID 118541156

IUPACtert-butyl N-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-hydroxycarbamate
SMILESCCCCC1(N(O)C(=O)OC(C)(C)C)C(=O)NC(=O)NC1=O
InChIInChI=1S/C13H21N3O6/c1-5-6-7-13(8(17)14-10(19)15-9(13)18)16(21)11(20)22-12(2,3)4/h21H,5-7H2,1-4H3,(H2,14,15,17,18,19)
InChIKeyZCFNACYWLPZWLT-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.91
Rot. Bonds4

About tert-butyl N-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-hydroxycarbamate

tert-butyl N-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-hydroxycarbamate (PubChem CID 118541156) has the molecular formula C13H21N3O6 and a molecular weight of 315.33 g/mol. Its IUPAC name is tert-butyl N-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-hydroxycarbamate.

Molecular Properties

Compound Nametert-butyl N-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-hydroxycarbamate
PubChem CID118541156
Molecular FormulaC13H21N3O6
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Nametert-butyl N-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-hydroxycarbamate
SMILESCCCCC1(N(O)C(=O)OC(C)(C)C)C(=O)NC(=O)NC1=O
InChIInChI=1S/C13H21N3O6/c1-5-6-7-13(8(17)14-10(19)15-9(13)18)16(21)11(20)22-12(2,3)4/h21H,5-7H2,1-4H3,(H2,14,15,17,18,19)
InChIKeyZCFNACYWLPZWLT-UHFFFAOYSA-N
XLogP0.91
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-hydroxy-N-[5-(2-methylpropyl)-2,4,6-trioxo-1,3-diazinan-5-yl]carbamate
CID 118541132
tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 89457667
tert-butyl N,N-dipentylcarbamate
CID 65142743
tert-butyl N-[(1S)-1-butyl-2-hydroxycyclopropyl]-N-ethylcarbamate
CID 165095069
3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 42656893
tert-butyl N-butyl-N-sulfamoylcarbamate
CID 101365553
tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745
tert-butyl N-octadecyl-N-phenylcarbamate
CID 174455229
tert-butyl N-butyl-N-(2-chloroethyl)carbamate
CID 114293365
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
tert-butyl octacosanoate
CID 174872722
ditert-butyl 2,5-dioxoimidazolidine-4,4-dicarboxylate
CID 22139635

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-hydroxycarbamate?
The IUPAC name of tert-butyl N-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-hydroxycarbamate (CID 118541156) is tert-butyl N-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-hydroxycarbamate.
What is the SMILES notation for tert-butyl N-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-hydroxycarbamate?
The canonical SMILES for tert-butyl N-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-hydroxycarbamate is CCCCC1(N(O)C(=O)OC(C)(C)C)C(=O)NC(=O)NC1=O.
What is the InChIKey of tert-butyl N-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-hydroxycarbamate?
The InChIKey is ZCFNACYWLPZWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O6/c1-5-6-7-13(8(17)14-10(19)15-9(13)18)16(21)11(20)22-12(2,3)4/h21H,5-7H2,1-4H3,(H2,14,15,17,18,19).
What are the key properties of tert-butyl N-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-hydroxycarbamate?
tert-butyl N-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-hydroxycarbamate has a molecular weight of 315.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)-N-hydroxycarbamate is sourced from PubChem (CID 118541156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).