tert-butyl N-[4-(diethylamino)-2-oxobut-3-enyl]-N-methylcarbamate

C14H26N2O3 — CID 162367936

IUPACtert-butyl N-[4-(diethylamino)-2-oxobut-3-enyl]-N-methylcarbamate
SMILESCCN(C=CC(=O)CN(C)C(=O)OC(C)(C)C)CC
InChIInChI=1S/C14H26N2O3/c1-7-16(8-2)10-9-12(17)11-15(6)13(18)19-14(3,4)5/h9-10H,7-8,11H2,1-6H3
InChIKeyHOJFEKXYBWZPMH-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.28
Rot. Bonds6

About tert-butyl N-[4-(diethylamino)-2-oxobut-3-enyl]-N-methylcarbamate

tert-butyl N-[4-(diethylamino)-2-oxobut-3-enyl]-N-methylcarbamate (PubChem CID 162367936) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[4-(diethylamino)-2-oxobut-3-enyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(diethylamino)-2-oxobut-3-enyl]-N-methylcarbamate
PubChem CID162367936
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[4-(diethylamino)-2-oxobut-3-enyl]-N-methylcarbamate
SMILESCCN(C=CC(=O)CN(C)C(=O)OC(C)(C)C)CC
InChIInChI=1S/C14H26N2O3/c1-7-16(8-2)10-9-12(17)11-15(6)13(18)19-14(3,4)5/h9-10H,7-8,11H2,1-6H3
InChIKeyHOJFEKXYBWZPMH-UHFFFAOYSA-N
XLogP2.28
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate;propane
CID 142813889
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tert-butyl N-methyl-N-[3-(methylamino)-2-oxopropyl]carbamate
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tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate
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3-(diethylamino)-N-ethyl-N-methylprop-2-enamide
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tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate
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tert-butyl N-[2-(dimethylamino)acetyl]-N-ethylcarbamate
CID 173318697
tert-butyl N-(2-hydroxyiminoethyl)-N-methylcarbamate
CID 163398675
tert-butyl N-methyl-N-pent-4-enylcarbamate
CID 20756745
tert-butyl N-methyl-N-(3-propylhexyl)carbamate
CID 139566665
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylazanium
CID 7006641

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(diethylamino)-2-oxobut-3-enyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-(diethylamino)-2-oxobut-3-enyl]-N-methylcarbamate (CID 162367936) is tert-butyl N-[4-(diethylamino)-2-oxobut-3-enyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-(diethylamino)-2-oxobut-3-enyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-(diethylamino)-2-oxobut-3-enyl]-N-methylcarbamate is CCN(C=CC(=O)CN(C)C(=O)OC(C)(C)C)CC.
What is the InChIKey of tert-butyl N-[4-(diethylamino)-2-oxobut-3-enyl]-N-methylcarbamate?
The InChIKey is HOJFEKXYBWZPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-7-16(8-2)10-9-12(17)11-15(6)13(18)19-14(3,4)5/h9-10H,7-8,11H2,1-6H3.
What are the key properties of tert-butyl N-[4-(diethylamino)-2-oxobut-3-enyl]-N-methylcarbamate?
tert-butyl N-[4-(diethylamino)-2-oxobut-3-enyl]-N-methylcarbamate has a molecular weight of 270.37 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(diethylamino)-2-oxobut-3-enyl]-N-methylcarbamate is sourced from PubChem (CID 162367936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).