tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl-(oxiran-2-ylmethyl)amino]propyl]-N-prop-2-enylcarbamate

C19H34N2O6 — CID 167424525

IUPACtert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl-(oxiran-2-ylmethyl)amino]propyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CC(O)CN(CC1CO1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H34N2O6/c1-8-9-20(16(23)26-18(2,3)4)10-14(22)11-21(12-15-13-25-15)17(24)27-19(5,6)7/h8,14-15,22H,1,9-13H2,2-7H3
InChIKeySAWOEONSDGODDE-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.41
Rot. Bonds8

About tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl-(oxiran-2-ylmethyl)amino]propyl]-N-prop-2-enylcarbamate

tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl-(oxiran-2-ylmethyl)amino]propyl]-N-prop-2-enylcarbamate (PubChem CID 167424525) has the molecular formula C19H34N2O6 and a molecular weight of 386.49 g/mol. Its IUPAC name is tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl-(oxiran-2-ylmethyl)amino]propyl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl-(oxiran-2-ylmethyl)amino]propyl]-N-prop-2-enylcarbamate
PubChem CID167424525
Molecular FormulaC19H34N2O6
Molecular Weight386.49 g/mol
Exact Mass386.24
IUPAC Nametert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl-(oxiran-2-ylmethyl)amino]propyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CC(O)CN(CC1CO1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H34N2O6/c1-8-9-20(16(23)26-18(2,3)4)10-14(22)11-21(12-15-13-25-15)17(24)27-19(5,6)7/h8,14-15,22H,1,9-13H2,2-7H3
InChIKeySAWOEONSDGODDE-UHFFFAOYSA-N
XLogP2.41
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-hydroxyethyl)-N-[2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]ethyl]carbamate
CID 88224795
tert-butyl N-but-3-enyl-N-[3-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl]carbamate
CID 167285936
tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]propyl]-N-(oxiran-2-ylmethyl)carbamate
CID 167424524
tert-butyl N-(oxiran-2-ylmethyl)-N-prop-2-enylcarbamate
CID 167424527
tert-butyl N-but-3-enyl-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl-[2-(oxiran-2-yl)ethyl]amino]propyl]carbamate
CID 167424528

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl-(oxiran-2-ylmethyl)amino]propyl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl-(oxiran-2-ylmethyl)amino]propyl]-N-prop-2-enylcarbamate (CID 167424525) is tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl-(oxiran-2-ylmethyl)amino]propyl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl-(oxiran-2-ylmethyl)amino]propyl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl-(oxiran-2-ylmethyl)amino]propyl]-N-prop-2-enylcarbamate is C=CCN(CC(O)CN(CC1CO1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl-(oxiran-2-ylmethyl)amino]propyl]-N-prop-2-enylcarbamate?
The InChIKey is SAWOEONSDGODDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O6/c1-8-9-20(16(23)26-18(2,3)4)10-14(22)11-21(12-15-13-25-15)17(24)27-19(5,6)7/h8,14-15,22H,1,9-13H2,2-7H3.
What are the key properties of tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl-(oxiran-2-ylmethyl)amino]propyl]-N-prop-2-enylcarbamate?
tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl-(oxiran-2-ylmethyl)amino]propyl]-N-prop-2-enylcarbamate has a molecular weight of 386.49 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl-(oxiran-2-ylmethyl)amino]propyl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 167424525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).