tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C14H25NO4 — CID 11777975

IUPACtert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESC/C=C/CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-8-9-10-15(11(16)18-13(2,3)4)12(17)19-14(5,6)7/h8-9H,10H2,1-7H3/b9-8+
InChIKeyLCUGCZLFZSTSGJ-CMDGGOBGSA-N
MW271.36 g/mol
LogP3.73
Rot. Bonds2

About tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 11777975) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID11777975
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESC/C=C/CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-8-9-10-15(11(16)18-13(2,3)4)12(17)19-14(5,6)7/h8-9H,10H2,1-7H3/b9-8+
InChIKeyLCUGCZLFZSTSGJ-CMDGGOBGSA-N
XLogP3.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-amino-N-[(E)-but-2-enyl]carbamate
CID 131234947
tert-butyl N-[(E)-4,4-dimethylpent-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate
CID 10570419
tert-butyl hex-4-enoate
CID 86102608
tert-butyl N-(5,5-dimethylhexa-2,3-dienyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11609526
S-[(Z)-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]prop-1-enyl] benzenecarbothioate
CID 139701970
tert-butyl N-pent-4-enoyl-N-prop-2-enylcarbamate
CID 46201500
tert-butyl N-prop-1-enyl-N-propylcarbamate
CID 90845357
tert-butyl N-[(E)-3-(2-amino-5-chloro-3-fluorophenyl)prop-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 10621037
tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate
CID 51050847
acetaldehyde;acetylene;tert-butyl N,N-diethylcarbamate
CID 143752017
tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate
CID 10668039
tert-butyl 2-ethylhex-4-enoate
CID 141287366

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 11777975) is tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is C/C=C/CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is LCUGCZLFZSTSGJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H25NO4/c1-8-9-10-15(11(16)18-13(2,3)4)12(17)19-14(5,6)7/h8-9H,10H2,1-7H3/b9-8+.
What are the key properties of tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 271.36 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 11777975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).