tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethylidene]carbamate

C15H27N3O5 — CID 54037286

IUPACtert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethylidene]carbamate
SMILESCC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CCOCC1
InChIInChI=1S/C15H27N3O5/c1-14(2,3)22-12(19)16-11(18-7-9-21-10-8-18)17-13(20)23-15(4,5)6/h7-10H2,1-6H3,(H,16,17,19,20)
InChIKeyLJVZNUBPKFREDX-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.13
Rot. Bonds

About tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethylidene]carbamate

tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethylidene]carbamate (PubChem CID 54037286) has the molecular formula C15H27N3O5 and a molecular weight of 329.40 g/mol. Its IUPAC name is tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethylidene]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethylidene]carbamate
PubChem CID54037286
Molecular FormulaC15H27N3O5
Molecular Weight329.40 g/mol
Exact Mass329.20
IUPAC Nametert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethylidene]carbamate
SMILESCC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CCOCC1
InChIInChI=1S/C15H27N3O5/c1-14(2,3)22-12(19)16-11(18-7-9-21-10-8-18)17-13(20)23-15(4,5)6/h7-10H2,1-6H3,(H,16,17,19,20)
InChIKeyLJVZNUBPKFREDX-UHFFFAOYSA-N
XLogP2.13
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethylidene]carbamate?
The IUPAC name of tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethylidene]carbamate (CID 54037286) is tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethylidene]carbamate.
What is the SMILES notation for tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethylidene]carbamate?
The canonical SMILES for tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethylidene]carbamate is CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CCOCC1.
What is the InChIKey of tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethylidene]carbamate?
The InChIKey is LJVZNUBPKFREDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O5/c1-14(2,3)22-12(19)16-11(18-7-9-21-10-8-18)17-13(20)23-15(4,5)6/h7-10H2,1-6H3,(H,16,17,19,20).
What are the key properties of tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethylidene]carbamate?
tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethylidene]carbamate has a molecular weight of 329.40 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-morpholin-4-ylmethylidene]carbamate is sourced from PubChem (CID 54037286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).