tert-butyl N-[2-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-N-methylcarbamate

C19H26N2O6 — CID 177118465

IUPACtert-butyl N-[2-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-N-methylcarbamate
SMILESCC(C(=O)c1ccc2c(c1)OCO2)N(C)C(=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H26N2O6/c1-12(17(23)13-7-8-14-15(9-13)26-11-25-14)21(6)16(22)10-20(5)18(24)27-19(2,3)4/h7-9,12H,10-11H2,1-6H3
InChIKeyZONUKDOONBIKDR-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.31
Rot. Bonds5

About tert-butyl N-[2-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-N-methylcarbamate

tert-butyl N-[2-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-N-methylcarbamate (PubChem CID 177118465) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is tert-butyl N-[2-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-N-methylcarbamate
PubChem CID177118465
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Nametert-butyl N-[2-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-N-methylcarbamate
SMILESCC(C(=O)c1ccc2c(c1)OCO2)N(C)C(=O)CN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C19H26N2O6/c1-12(17(23)13-7-8-14-15(9-13)26-11-25-14)21(6)16(22)10-20(5)18(24)27-19(2,3)4/h7-9,12H,10-11H2,1-6H3
InChIKeyZONUKDOONBIKDR-UHFFFAOYSA-N
XLogP2.31
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-N-methylcarbamate with MolForge

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Related Compounds

tert-butyl 5-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-5-oxopentanoate
CID 168990069
N-[(2R)-1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylpropanamide
CID 168989712
N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-3-hydroxy-N-methylpropanamide
CID 168989710
(2S)-2-amino-N-[2-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 177118521
N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methyl-2-(5-methyl-2-oxo-1,3-dioxol-4-yl)acetamide
CID 168990023
[1-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylcarbamoyl]oxy-2-methylpropan-2-yl] 2-amino-3-methylbutanoate
CID 177118503
[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylcarbamoyl]oxymethyl ethyl carbonate
CID 168989882
(2-acetamido-2-methylpropyl) N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylcarbamate
CID 168990198
(2S)-2-amino-N-[(2S)-1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-3-hydroxy-N-methylpropanamide
CID 177118532
2-cyclopropyloxyethyl N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylcarbamate
CID 168990157
CID 174080937
CID 174080937
2-amino-N-[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-N-methylpentanamide
CID 168990288

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-N-methylcarbamate (CID 177118465) is tert-butyl N-[2-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-N-methylcarbamate is CC(C(=O)c1ccc2c(c1)OCO2)N(C)C(=O)CN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-N-methylcarbamate?
The InChIKey is ZONUKDOONBIKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-12(17(23)13-7-8-14-15(9-13)26-11-25-14)21(6)16(22)10-20(5)18(24)27-19(2,3)4/h7-9,12H,10-11H2,1-6H3.
What are the key properties of tert-butyl N-[2-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-N-methylcarbamate?
tert-butyl N-[2-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-N-methylcarbamate has a molecular weight of 378.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 177118465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).