tert-butyl N-[1-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]butylidene]carbamate

C16H28N2O4 — CID 123194297

IUPACtert-butyl N-[1-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]butylidene]carbamate
SMILESCCC(CC(C)=NC(=O)OC(C)(C)C)=NC(=O)OC(C)(C)C
InChIInChI=1S/C16H28N2O4/c1-9-12(18-14(20)22-16(6,7)8)10-11(2)17-13(19)21-15(3,4)5/h9-10H2,1-8H3
InChIKeyUNNGUPJDOPUKCL-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.56
Rot. Bonds3

About tert-butyl N-[1-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]butylidene]carbamate

tert-butyl N-[1-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]butylidene]carbamate (PubChem CID 123194297) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl N-[1-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]butylidene]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]butylidene]carbamate
PubChem CID123194297
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Nametert-butyl N-[1-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]butylidene]carbamate
SMILESCCC(CC(C)=NC(=O)OC(C)(C)C)=NC(=O)OC(C)(C)C
InChIInChI=1S/C16H28N2O4/c1-9-12(18-14(20)22-16(6,7)8)10-11(2)17-13(19)21-15(3,4)5/h9-10H2,1-8H3
InChIKeyUNNGUPJDOPUKCL-UHFFFAOYSA-N
XLogP4.56
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]butylidene]carbamate?
The IUPAC name of tert-butyl N-[1-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]butylidene]carbamate (CID 123194297) is tert-butyl N-[1-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]butylidene]carbamate.
What is the SMILES notation for tert-butyl N-[1-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]butylidene]carbamate?
The canonical SMILES for tert-butyl N-[1-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]butylidene]carbamate is CCC(CC(C)=NC(=O)OC(C)(C)C)=NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]butylidene]carbamate?
The InChIKey is UNNGUPJDOPUKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-9-12(18-14(20)22-16(6,7)8)10-11(2)17-13(19)21-15(3,4)5/h9-10H2,1-8H3.
What are the key properties of tert-butyl N-[1-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]butylidene]carbamate?
tert-butyl N-[1-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]butylidene]carbamate has a molecular weight of 312.41 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylimino]butylidene]carbamate is sourced from PubChem (CID 123194297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).