tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-prop-2-enylcarbamate

C12H22N2O4 — CID 86697892

IUPACtert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CC(=O)N(C)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O4/c1-7-8-14(9-10(15)13(5)17-6)11(16)18-12(2,3)4/h7H,1,8-9H2,2-6H3
InChIKeyVGKYBZPZSRDNTE-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.43
Rot. Bonds5

About tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-prop-2-enylcarbamate

tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-prop-2-enylcarbamate (PubChem CID 86697892) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-prop-2-enylcarbamate
PubChem CID86697892
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nametert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CC(=O)N(C)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O4/c1-7-8-14(9-10(15)13(5)17-6)11(16)18-12(2,3)4/h7H,1,8-9H2,2-6H3
InChIKeyVGKYBZPZSRDNTE-UHFFFAOYSA-N
XLogP1.43
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-prop-2-enylcarbamate (CID 86697892) is tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-prop-2-enylcarbamate is C=CCN(CC(=O)N(C)OC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-prop-2-enylcarbamate?
The InChIKey is VGKYBZPZSRDNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-7-8-14(9-10(15)13(5)17-6)11(16)18-12(2,3)4/h7H,1,8-9H2,2-6H3.
What are the key properties of tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-prop-2-enylcarbamate?
tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-prop-2-enylcarbamate has a molecular weight of 258.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 86697892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).