tert-butyl N-phenyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbamate

C17H26BNO4 — CID 66990367

IUPACtert-butyl N-phenyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)N(B1OC(C)(C)C(C)(C)O1)c1ccccc1
InChIInChI=1S/C17H26BNO4/c1-15(2,3)21-14(20)19(13-11-9-8-10-12-13)18-22-16(4,5)17(6,7)23-18/h8-12H,1-7H3
InChIKeyDNZJHSQBMOLRMA-UHFFFAOYSA-N
MW319.21 g/mol
LogP4.02
Rot. Bonds2

About tert-butyl N-phenyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbamate

tert-butyl N-phenyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbamate (PubChem CID 66990367) has the molecular formula C17H26BNO4 and a molecular weight of 319.21 g/mol. Its IUPAC name is tert-butyl N-phenyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-phenyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbamate
PubChem CID66990367
Molecular FormulaC17H26BNO4
Molecular Weight319.21 g/mol
Exact Mass319.20
IUPAC Nametert-butyl N-phenyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)N(B1OC(C)(C)C(C)(C)O1)c1ccccc1
InChIInChI=1S/C17H26BNO4/c1-15(2,3)21-14(20)19(13-11-9-8-10-12-13)18-22-16(4,5)17(6,7)23-18/h8-12H,1-7H3
InChIKeyDNZJHSQBMOLRMA-UHFFFAOYSA-N
XLogP4.02
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 54.02
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-phenyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbamate?
The IUPAC name of tert-butyl N-phenyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbamate (CID 66990367) is tert-butyl N-phenyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-phenyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-phenyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbamate is CC(C)(C)OC(=O)N(B1OC(C)(C)C(C)(C)O1)c1ccccc1.
What is the InChIKey of tert-butyl N-phenyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbamate?
The InChIKey is DNZJHSQBMOLRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BNO4/c1-15(2,3)21-14(20)19(13-11-9-8-10-12-13)18-22-16(4,5)17(6,7)23-18/h8-12H,1-7H3.
What are the key properties of tert-butyl N-phenyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbamate?
tert-butyl N-phenyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbamate has a molecular weight of 319.21 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-phenyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbamate is sourced from PubChem (CID 66990367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).