N-[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-methylnitrous amide

C19H36N2O3Si2 — CID 11825445

IUPACN-[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-methylnitrous amide
SMILESCN(N=O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36N2O3Si2/c1-18(2,3)25(8,9)23-15-12-13-17(16(14-15)21(7)20-22)24-26(10,11)19(4,5)6/h12-14H,1-11H3
InChIKeyNPOKGGFIKLDZSL-UHFFFAOYSA-N
MW396.68 g/mol
LogP6.57
Rot. Bonds6

About N-[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-methylnitrous amide

N-[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-methylnitrous amide (PubChem CID 11825445) has the molecular formula C19H36N2O3Si2 and a molecular weight of 396.68 g/mol. Its IUPAC name is N-[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-methylnitrous amide.

Molecular Properties

Compound NameN-[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-methylnitrous amide
PubChem CID11825445
Molecular FormulaC19H36N2O3Si2
Molecular Weight396.68 g/mol
Exact Mass396.23
IUPAC NameN-[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-methylnitrous amide
SMILESCN(N=O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36N2O3Si2/c1-18(2,3)25(8,9)23-15-12-13-17(16(14-15)21(7)20-22)24-26(10,11)19(4,5)6/h12-14H,1-11H3
InChIKeyNPOKGGFIKLDZSL-UHFFFAOYSA-N
XLogP6.57
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.68
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-methylnitrous amide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-methylnitrous amide?
The IUPAC name of N-[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-methylnitrous amide (CID 11825445) is N-[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-methylnitrous amide.
What is the SMILES notation for N-[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-methylnitrous amide?
The canonical SMILES for N-[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-methylnitrous amide is CN(N=O)c1cc(O[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-methylnitrous amide?
The InChIKey is NPOKGGFIKLDZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3Si2/c1-18(2,3)25(8,9)23-15-12-13-17(16(14-15)21(7)20-22)24-26(10,11)19(4,5)6/h12-14H,1-11H3.
What are the key properties of N-[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-methylnitrous amide?
N-[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-methylnitrous amide has a molecular weight of 396.68 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]-N-methylnitrous amide is sourced from PubChem (CID 11825445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).