tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-1-enyl]carbamate

C15H27NO4 — CID 86616359

IUPACtert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-1-enyl]carbamate
SMILESCCC/C=C/N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-8-9-10-11-16(12(17)19-14(2,3)4)13(18)20-15(5,6)7/h10-11H,8-9H2,1-7H3/b11-10+
InChIKeyGEWQPRGLTWMFFL-ZHACJKMWSA-N
MW285.38 g/mol
LogP4.47
Rot. Bonds3

About tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-1-enyl]carbamate

tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-1-enyl]carbamate (PubChem CID 86616359) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-1-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-1-enyl]carbamate
PubChem CID86616359
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-1-enyl]carbamate
SMILESCCC/C=C/N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-8-9-10-11-16(12(17)19-14(2,3)4)13(18)20-15(5,6)7/h10-11H,8-9H2,1-7H3/b11-10+
InChIKeyGEWQPRGLTWMFFL-ZHACJKMWSA-N
XLogP4.47
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-1-enyl]carbamate?
The IUPAC name of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-1-enyl]carbamate (CID 86616359) is tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-1-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-1-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-1-enyl]carbamate is CCC/C=C/N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-1-enyl]carbamate?
The InChIKey is GEWQPRGLTWMFFL-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H27NO4/c1-8-9-10-11-16(12(17)19-14(2,3)4)13(18)20-15(5,6)7/h10-11H,8-9H2,1-7H3/b11-10+.
What are the key properties of tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-1-enyl]carbamate?
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-1-enyl]carbamate has a molecular weight of 285.38 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[(E)-pent-1-enyl]carbamate is sourced from PubChem (CID 86616359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).