tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate

C14H26N2O4 — CID 102315760

IUPACtert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C\CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-13(2,3)19-11(17)15-9-7-8-10-16-12(18)20-14(4,5)6/h7-8H,9-10H2,1-6H3,(H,15,17)(H,16,18)/b8-7-
InChIKeyUANXWJIALRHYLI-FPLPWBNLSA-N
MW286.37 g/mol
LogP2.59
Rot. Bonds4

About tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate

tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate (PubChem CID 102315760) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate
PubChem CID102315760
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C\CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-13(2,3)19-11(17)15-9-7-8-10-16-12(18)20-14(4,5)6/h7-8H,9-10H2,1-6H3,(H,15,17)(H,16,18)/b8-7-
InChIKeyUANXWJIALRHYLI-FPLPWBNLSA-N
XLogP2.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate (CID 102315760) is tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate is CC(C)(C)OC(=O)NC/C=C\CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate?
The InChIKey is UANXWJIALRHYLI-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-13(2,3)19-11(17)15-9-7-8-10-16-12(18)20-14(4,5)6/h7-8H,9-10H2,1-6H3,(H,15,17)(H,16,18)/b8-7-.
What are the key properties of tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate?
tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate has a molecular weight of 286.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate is sourced from PubChem (CID 102315760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).