tert-butyl N-[1-[1-[tert-butyl(diphenyl)silyl]carbonylcyclopropyl]azetidin-3-yl]-N-methylcarbamate

C29H40N2O3Si — CID 164519816

IUPACtert-butyl N-[1-[1-[tert-butyl(diphenyl)silyl]carbonylcyclopropyl]azetidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CN(C2(C(=O)[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)C1
InChIInChI=1S/C29H40N2O3Si/c1-27(2,3)34-26(33)30(7)22-20-31(21-22)29(18-19-29)25(32)35(28(4,5)6,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,22H,18-21H2,1-7H3
InChIKeyPRUMBAXCBRFFMT-UHFFFAOYSA-N
MW492.74 g/mol
LogP4.24
Rot. Bonds6

About tert-butyl N-[1-[1-[tert-butyl(diphenyl)silyl]carbonylcyclopropyl]azetidin-3-yl]-N-methylcarbamate

tert-butyl N-[1-[1-[tert-butyl(diphenyl)silyl]carbonylcyclopropyl]azetidin-3-yl]-N-methylcarbamate (PubChem CID 164519816) has the molecular formula C29H40N2O3Si and a molecular weight of 492.74 g/mol. Its IUPAC name is tert-butyl N-[1-[1-[tert-butyl(diphenyl)silyl]carbonylcyclopropyl]azetidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-[tert-butyl(diphenyl)silyl]carbonylcyclopropyl]azetidin-3-yl]-N-methylcarbamate
PubChem CID164519816
Molecular FormulaC29H40N2O3Si
Molecular Weight492.74 g/mol
Exact Mass492.28
IUPAC Nametert-butyl N-[1-[1-[tert-butyl(diphenyl)silyl]carbonylcyclopropyl]azetidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CN(C2(C(=O)[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)C1
InChIInChI=1S/C29H40N2O3Si/c1-27(2,3)34-26(33)30(7)22-20-31(21-22)29(18-19-29)25(32)35(28(4,5)6,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,22H,18-21H2,1-7H3
InChIKeyPRUMBAXCBRFFMT-UHFFFAOYSA-N
XLogP4.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.74
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-[tert-butyl(diphenyl)silyl]carbonylcyclopropyl]azetidin-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[1-[tert-butyl(diphenyl)silyl]carbonylcyclopropyl]azetidin-3-yl]-N-methylcarbamate (CID 164519816) is tert-butyl N-[1-[1-[tert-butyl(diphenyl)silyl]carbonylcyclopropyl]azetidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[1-[tert-butyl(diphenyl)silyl]carbonylcyclopropyl]azetidin-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[1-[tert-butyl(diphenyl)silyl]carbonylcyclopropyl]azetidin-3-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CN(C2(C(=O)[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl N-[1-[1-[tert-butyl(diphenyl)silyl]carbonylcyclopropyl]azetidin-3-yl]-N-methylcarbamate?
The InChIKey is PRUMBAXCBRFFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N2O3Si/c1-27(2,3)34-26(33)30(7)22-20-31(21-22)29(18-19-29)25(32)35(28(4,5)6,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,22H,18-21H2,1-7H3.
What are the key properties of tert-butyl N-[1-[1-[tert-butyl(diphenyl)silyl]carbonylcyclopropyl]azetidin-3-yl]-N-methylcarbamate?
tert-butyl N-[1-[1-[tert-butyl(diphenyl)silyl]carbonylcyclopropyl]azetidin-3-yl]-N-methylcarbamate has a molecular weight of 492.74 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-[tert-butyl(diphenyl)silyl]carbonylcyclopropyl]azetidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 164519816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).