[2-methylpropylcarbamoyloxy(phenyl)boranyl] N-(2-methylpropyl)carbamate

C16H25BN2O4 — CID 57464095

IUPAC[2-methylpropylcarbamoyloxy(phenyl)boranyl] N-(2-methylpropyl)carbamate
SMILESCC(C)CNC(=O)OB(OC(=O)NCC(C)C)c1ccccc1
InChIInChI=1S/C16H25BN2O4/c1-12(2)10-18-15(20)22-17(14-8-6-5-7-9-14)23-16(21)19-11-13(3)4/h5-9,12-13H,10-11H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyULSWPWGWUZDPOY-UHFFFAOYSA-N
MW320.20 g/mol
LogP2.15
Rot. Bonds7

About [2-methylpropylcarbamoyloxy(phenyl)boranyl] N-(2-methylpropyl)carbamate

[2-methylpropylcarbamoyloxy(phenyl)boranyl] N-(2-methylpropyl)carbamate (PubChem CID 57464095) has the molecular formula C16H25BN2O4 and a molecular weight of 320.20 g/mol. Its IUPAC name is [2-methylpropylcarbamoyloxy(phenyl)boranyl] N-(2-methylpropyl)carbamate.

Molecular Properties

Compound Name[2-methylpropylcarbamoyloxy(phenyl)boranyl] N-(2-methylpropyl)carbamate
PubChem CID57464095
Molecular FormulaC16H25BN2O4
Molecular Weight320.20 g/mol
Exact Mass320.19
IUPAC Name[2-methylpropylcarbamoyloxy(phenyl)boranyl] N-(2-methylpropyl)carbamate
SMILESCC(C)CNC(=O)OB(OC(=O)NCC(C)C)c1ccccc1
InChIInChI=1S/C16H25BN2O4/c1-12(2)10-18-15(20)22-17(14-8-6-5-7-9-14)23-16(21)19-11-13(3)4/h5-9,12-13H,10-11H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyULSWPWGWUZDPOY-UHFFFAOYSA-N
XLogP2.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 52.15
H-Bond Donors ≤ 52
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 [2-methylpropylcarbamoyloxy(phenyl)boranyl] N-(2-methylpropyl)carbamate?
The IUPAC name of [2-methylpropylcarbamoyloxy(phenyl)boranyl] N-(2-methylpropyl)carbamate (CID 57464095) is [2-methylpropylcarbamoyloxy(phenyl)boranyl] N-(2-methylpropyl)carbamate.
What is the SMILES notation for [2-methylpropylcarbamoyloxy(phenyl)boranyl] N-(2-methylpropyl)carbamate?
The canonical SMILES for [2-methylpropylcarbamoyloxy(phenyl)boranyl] N-(2-methylpropyl)carbamate is CC(C)CNC(=O)OB(OC(=O)NCC(C)C)c1ccccc1.
What is the InChIKey of [2-methylpropylcarbamoyloxy(phenyl)boranyl] N-(2-methylpropyl)carbamate?
The InChIKey is ULSWPWGWUZDPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BN2O4/c1-12(2)10-18-15(20)22-17(14-8-6-5-7-9-14)23-16(21)19-11-13(3)4/h5-9,12-13H,10-11H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of [2-methylpropylcarbamoyloxy(phenyl)boranyl] N-(2-methylpropyl)carbamate?
[2-methylpropylcarbamoyloxy(phenyl)boranyl] N-(2-methylpropyl)carbamate has a molecular weight of 320.20 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylpropylcarbamoyloxy(phenyl)boranyl] N-(2-methylpropyl)carbamate is sourced from PubChem (CID 57464095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).