tert-butyl N-(2-morpholin-4-ylpropyl)carbamate

C12H24N2O3 — CID 18948440

IUPACtert-butyl N-(2-morpholin-4-ylpropyl)carbamate
SMILESCC(CNC(=O)OC(C)(C)C)N1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-10(14-5-7-16-8-6-14)9-13-11(15)17-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyVQZGWAQLPXCPHE-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.23
Rot. Bonds3

About tert-butyl N-(2-morpholin-4-ylpropyl)carbamate

tert-butyl N-(2-morpholin-4-ylpropyl)carbamate (PubChem CID 18948440) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-(2-morpholin-4-ylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-morpholin-4-ylpropyl)carbamate
PubChem CID18948440
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-(2-morpholin-4-ylpropyl)carbamate
SMILESCC(CNC(=O)OC(C)(C)C)N1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-10(14-5-7-16-8-6-14)9-13-11(15)17-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyVQZGWAQLPXCPHE-UHFFFAOYSA-N
XLogP1.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-morpholin-4-ylpropyl)carbamate?
The IUPAC name of tert-butyl N-(2-morpholin-4-ylpropyl)carbamate (CID 18948440) is tert-butyl N-(2-morpholin-4-ylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-morpholin-4-ylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-morpholin-4-ylpropyl)carbamate is CC(CNC(=O)OC(C)(C)C)N1CCOCC1.
What is the InChIKey of tert-butyl N-(2-morpholin-4-ylpropyl)carbamate?
The InChIKey is VQZGWAQLPXCPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10(14-5-7-16-8-6-14)9-13-11(15)17-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of tert-butyl N-(2-morpholin-4-ylpropyl)carbamate?
tert-butyl N-(2-morpholin-4-ylpropyl)carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-morpholin-4-ylpropyl)carbamate is sourced from PubChem (CID 18948440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).