tert-butyl N-[3-[4-[2-[4-[[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamate

C34H42N4O5 — CID 167437292

About tert-butyl N-[3-[4-[2-[4-[[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamate

tert-butyl N-[3-[4-[2-[4-[[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamate (PubChem CID 167437292) has the molecular formula C34H42N4O5 and a molecular weight of 586.73 g/mol. Its IUPAC name is tert-butyl N-[3-[4-[2-[4-[[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[3-[4-[2-[4-[[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamate
• PubChem CID: 167437292
• Molecular Formula: C34H42N4O5
• Molecular Weight: 586.73 g/mol
• Exact Mass: 586.32
• IUPAC Name: tert-butyl N-[3-[4-[2-[4-[[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamate
• SMILES: CC(C)(C)OC(=O)NC1CC(Oc2ccc(C(C)(C)c3ccc(OCc4cc(N5CC6(COC6)C5)ncn4)cc3)cc2)C1
• InChI: InChI=1S/C34H42N4O5/c1-32(2,3)43-31(39)37-25-14-29(15-25)42-28-12-8-24(9-13-28)33(4,5)23-6-10-27(11-7-23)41-17-26-16-30(36-22-35-26)38-18-34(19-38)20-40-21-34/h6-13,16,22,25,29H,14-15,17-21H2,1-5H3,(H,37,39)
• InChIKey: WGPFBXDCQIMHSV-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 95.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.73
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-[2-[4-[[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamate?

The IUPAC name of tert-butyl N-[3-[4-[2-[4-[[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamate (CID 167437292) is tert-butyl N-[3-[4-[2-[4-[[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamate.

What is the SMILES notation for tert-butyl N-[3-[4-[2-[4-[[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamate?

The canonical SMILES for tert-butyl N-[3-[4-[2-[4-[[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(Oc2ccc(C(C)(C)c3ccc(OCc4cc(N5CC6(COC6)C5)ncn4)cc3)cc2)C1.

What is the InChIKey of tert-butyl N-[3-[4-[2-[4-[[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamate?

The InChIKey is WGPFBXDCQIMHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4O5/c1-32(2,3)43-31(39)37-25-14-29(15-25)42-28-12-8-24(9-13-28)33(4,5)23-6-10-27(11-7-23)41-17-26-16-30(36-22-35-26)38-18-34(19-38)20-40-21-34/h6-13,16,22,25,29H,14-15,17-21H2,1-5H3,(H,37,39).

What are the key properties of tert-butyl N-[3-[4-[2-[4-[[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamate?

tert-butyl N-[3-[4-[2-[4-[[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamate has a molecular weight of 586.73 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-[4-[2-[4-[[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamate is sourced from PubChem (CID 167437292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).