tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate

C17H33N3O4 — CID 121401219

IUPACtert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CCN1CCOCC1)CN1CCOCC1
InChIInChI=1S/C17H33N3O4/c1-17(2,3)24-16(21)18-15(14-20-8-12-23-13-9-20)4-5-19-6-10-22-11-7-19/h15H,4-14H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyRMNZCGKGFUDCFI-OAHLLOKOSA-N
MW343.47 g/mol
LogP0.93
Rot. Bonds6

About tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate

tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate (PubChem CID 121401219) has the molecular formula C17H33N3O4 and a molecular weight of 343.47 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate
PubChem CID121401219
Molecular FormulaC17H33N3O4
Molecular Weight343.47 g/mol
Exact Mass343.25
IUPAC Nametert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CCN1CCOCC1)CN1CCOCC1
InChIInChI=1S/C17H33N3O4/c1-17(2,3)24-16(21)18-15(14-20-8-12-23-13-9-20)4-5-19-6-10-22-11-7-19/h15H,4-14H2,1-3H3,(H,18,21)/t15-/m1/s1
InChIKeyRMNZCGKGFUDCFI-OAHLLOKOSA-N
XLogP0.93
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate (CID 121401219) is tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CCN1CCOCC1)CN1CCOCC1.
What is the InChIKey of tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate?
The InChIKey is RMNZCGKGFUDCFI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H33N3O4/c1-17(2,3)24-16(21)18-15(14-20-8-12-23-13-9-20)4-5-19-6-10-22-11-7-19/h15H,4-14H2,1-3H3,(H,18,21)/t15-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate?
tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate has a molecular weight of 343.47 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1,4-dimorpholin-4-ylbutan-2-yl]carbamate is sourced from PubChem (CID 121401219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).