tert-butyl N-[4-(7-azaspiro[3.5]nonan-2-yloxy)phenyl]carbamate

C19H28N2O3 — CID 164578682

IUPACtert-butyl N-[4-(7-azaspiro[3.5]nonan-2-yloxy)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(OC2CC3(CCNCC3)C2)cc1
InChIInChI=1S/C19H28N2O3/c1-18(2,3)24-17(22)21-14-4-6-15(7-5-14)23-16-12-19(13-16)8-10-20-11-9-19/h4-7,16,20H,8-13H2,1-3H3,(H,21,22)
InChIKeyUEAODGLLKHFFAS-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.94
Rot. Bonds3

About tert-butyl N-[4-(7-azaspiro[3.5]nonan-2-yloxy)phenyl]carbamate

tert-butyl N-[4-(7-azaspiro[3.5]nonan-2-yloxy)phenyl]carbamate (PubChem CID 164578682) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl N-[4-(7-azaspiro[3.5]nonan-2-yloxy)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(7-azaspiro[3.5]nonan-2-yloxy)phenyl]carbamate
PubChem CID164578682
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl N-[4-(7-azaspiro[3.5]nonan-2-yloxy)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(OC2CC3(CCNCC3)C2)cc1
InChIInChI=1S/C19H28N2O3/c1-18(2,3)24-17(22)21-14-4-6-15(7-5-14)23-16-12-19(13-16)8-10-20-11-9-19/h4-7,16,20H,8-13H2,1-3H3,(H,21,22)
InChIKeyUEAODGLLKHFFAS-UHFFFAOYSA-N
XLogP3.94
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(7-azaspiro[3.5]nonan-2-yloxy)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(7-azaspiro[3.5]nonan-2-yloxy)phenyl]carbamate (CID 164578682) is tert-butyl N-[4-(7-azaspiro[3.5]nonan-2-yloxy)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(7-azaspiro[3.5]nonan-2-yloxy)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(7-azaspiro[3.5]nonan-2-yloxy)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(OC2CC3(CCNCC3)C2)cc1.
What is the InChIKey of tert-butyl N-[4-(7-azaspiro[3.5]nonan-2-yloxy)phenyl]carbamate?
The InChIKey is UEAODGLLKHFFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-18(2,3)24-17(22)21-14-4-6-15(7-5-14)23-16-12-19(13-16)8-10-20-11-9-19/h4-7,16,20H,8-13H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[4-(7-azaspiro[3.5]nonan-2-yloxy)phenyl]carbamate?
tert-butyl N-[4-(7-azaspiro[3.5]nonan-2-yloxy)phenyl]carbamate has a molecular weight of 332.44 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(7-azaspiro[3.5]nonan-2-yloxy)phenyl]carbamate is sourced from PubChem (CID 164578682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).