tert-butyl N-(4-morpholin-4-ylbutan-2-yl)carbamate

C13H26N2O3 — CID 18387914

IUPACtert-butyl N-(4-morpholin-4-ylbutan-2-yl)carbamate
SMILESCC(CCN1CCOCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-11(14-12(16)18-13(2,3)4)5-6-15-7-9-17-10-8-15/h11H,5-10H2,1-4H3,(H,14,16)
InChIKeyMZQDMSMQGILZPC-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.62
Rot. Bonds4

About tert-butyl N-(4-morpholin-4-ylbutan-2-yl)carbamate

tert-butyl N-(4-morpholin-4-ylbutan-2-yl)carbamate (PubChem CID 18387914) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl N-(4-morpholin-4-ylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-morpholin-4-ylbutan-2-yl)carbamate
PubChem CID18387914
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl N-(4-morpholin-4-ylbutan-2-yl)carbamate
SMILESCC(CCN1CCOCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-11(14-12(16)18-13(2,3)4)5-6-15-7-9-17-10-8-15/h11H,5-10H2,1-4H3,(H,14,16)
InChIKeyMZQDMSMQGILZPC-UHFFFAOYSA-N
XLogP1.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-morpholin-4-ylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-morpholin-4-ylbutan-2-yl)carbamate (CID 18387914) is tert-butyl N-(4-morpholin-4-ylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-morpholin-4-ylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-morpholin-4-ylbutan-2-yl)carbamate is CC(CCN1CCOCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-morpholin-4-ylbutan-2-yl)carbamate?
The InChIKey is MZQDMSMQGILZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-11(14-12(16)18-13(2,3)4)5-6-15-7-9-17-10-8-15/h11H,5-10H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-(4-morpholin-4-ylbutan-2-yl)carbamate?
tert-butyl N-(4-morpholin-4-ylbutan-2-yl)carbamate has a molecular weight of 258.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-morpholin-4-ylbutan-2-yl)carbamate is sourced from PubChem (CID 18387914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).