tert-butyl N-[4-[methoxy(methyl)amino]-4-oxobutyl]-N-prop-2-enylcarbamate

C14H26N2O4 — CID 138964629

IUPACtert-butyl N-[4-[methoxy(methyl)amino]-4-oxobutyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CCCC(=O)N(C)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-7-10-16(13(18)20-14(2,3)4)11-8-9-12(17)15(5)19-6/h7H,1,8-11H2,2-6H3
InChIKeyKKDJJSNBOTVOTA-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.21
Rot. Bonds7

About tert-butyl N-[4-[methoxy(methyl)amino]-4-oxobutyl]-N-prop-2-enylcarbamate

tert-butyl N-[4-[methoxy(methyl)amino]-4-oxobutyl]-N-prop-2-enylcarbamate (PubChem CID 138964629) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl N-[4-[methoxy(methyl)amino]-4-oxobutyl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[methoxy(methyl)amino]-4-oxobutyl]-N-prop-2-enylcarbamate
PubChem CID138964629
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl N-[4-[methoxy(methyl)amino]-4-oxobutyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CCCC(=O)N(C)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-7-10-16(13(18)20-14(2,3)4)11-8-9-12(17)15(5)19-6/h7H,1,8-11H2,2-6H3
InChIKeyKKDJJSNBOTVOTA-UHFFFAOYSA-N
XLogP2.21
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.21
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-[4-[methoxy(methyl)amino]-4-oxobutyl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[4-[methoxy(methyl)amino]-4-oxobutyl]-N-prop-2-enylcarbamate (CID 138964629) is tert-butyl N-[4-[methoxy(methyl)amino]-4-oxobutyl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[4-[methoxy(methyl)amino]-4-oxobutyl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[4-[methoxy(methyl)amino]-4-oxobutyl]-N-prop-2-enylcarbamate is C=CCN(CCCC(=O)N(C)OC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[methoxy(methyl)amino]-4-oxobutyl]-N-prop-2-enylcarbamate?
The InChIKey is KKDJJSNBOTVOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-7-10-16(13(18)20-14(2,3)4)11-8-9-12(17)15(5)19-6/h7H,1,8-11H2,2-6H3.
What are the key properties of tert-butyl N-[4-[methoxy(methyl)amino]-4-oxobutyl]-N-prop-2-enylcarbamate?
tert-butyl N-[4-[methoxy(methyl)amino]-4-oxobutyl]-N-prop-2-enylcarbamate has a molecular weight of 286.37 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[methoxy(methyl)amino]-4-oxobutyl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 138964629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).