tert-butyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-prop-2-enylcarbamate

C13H24N2O4 — CID 139529843

IUPACtert-butyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)C(C)C(=O)N(C)OC
InChIInChI=1S/C13H24N2O4/c1-8-9-15(12(17)19-13(3,4)5)10(2)11(16)14(6)18-7/h8,10H,1,9H2,2-7H3
InChIKeyFJQJUXRIORIFEW-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.82
Rot. Bonds5

About tert-butyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-prop-2-enylcarbamate

tert-butyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-prop-2-enylcarbamate (PubChem CID 139529843) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-prop-2-enylcarbamate
PubChem CID139529843
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)C(C)C(=O)N(C)OC
InChIInChI=1S/C13H24N2O4/c1-8-9-15(12(17)19-13(3,4)5)10(2)11(16)14(6)18-7/h8,10H,1,9H2,2-7H3
InChIKeyFJQJUXRIORIFEW-UHFFFAOYSA-N
XLogP1.82
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.82
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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Related Compounds

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CID 11449789
Boc-N(allyl)Ala-N(allyl)Gly-OMe
CID 11772180
tert-butyl N-[4-[methoxy(methyl)amino]-4-oxobutyl]-N-prop-2-enylcarbamate
CID 138964629
tert-butyl N-[(3S)-2-oxo-1-prop-2-enylazetidin-3-yl]-N-prop-2-enylcarbamate
CID 139256074
(S)-tert-Butyl (1-(methoxy(methyl)amino)-1-oxopropan-2-yl)(methyl)carbamate
CID 54096589
tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxopent-4-en-2-yl]-N-methylcarbamate
CID 60097236
tert-Butyl 1-{[methoxy(methyl)amino]carbonyl}-3-butenyl(methyl)carbamate
CID 72647112
tert-Butyl N-allyl-N-[2-(methoxy(methyl)amino)-2-oxo-ethyl]carbamate
CID 86697892
tert-butyl N-(1-methoxybut-3-en-2-yl)-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate
CID 89851352
tert-butyl N-[(2S)-4-hydroxybut-3-en-2-yl]-N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate
CID 89851522
(S)-tert-butyl 2-(methoxy(methyl)amino)-2-oxoethyl(1-methoxybut-3-en-2-yl)carbamate
CID 89863103

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-prop-2-enylcarbamate (CID 139529843) is tert-butyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-prop-2-enylcarbamate is C=CCN(C(=O)OC(C)(C)C)C(C)C(=O)N(C)OC.
What is the InChIKey of tert-butyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-prop-2-enylcarbamate?
The InChIKey is FJQJUXRIORIFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-8-9-15(12(17)19-13(3,4)5)10(2)11(16)14(6)18-7/h8,10H,1,9H2,2-7H3.
What are the key properties of tert-butyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-prop-2-enylcarbamate?
tert-butyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-prop-2-enylcarbamate has a molecular weight of 272.34 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 139529843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).