N-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-ylprop-2-enamide

C22H29NO2Si — CID 54110973

IUPACN-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)N(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C22H29NO2Si/c1-7-21(24)23(18(2)3)25-26(22(4,5)6,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h7-18H,1H2,2-6H3
InChIKeyNHBDOSNCXRPIEL-UHFFFAOYSA-N
MW367.57 g/mol
LogP3.90
Rot. Bonds6

About N-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-ylprop-2-enamide

N-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-ylprop-2-enamide (PubChem CID 54110973) has the molecular formula C22H29NO2Si and a molecular weight of 367.57 g/mol. Its IUPAC name is N-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-ylprop-2-enamide
PubChem CID54110973
Molecular FormulaC22H29NO2Si
Molecular Weight367.57 g/mol
Exact Mass367.20
IUPAC NameN-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)N(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C
InChIInChI=1S/C22H29NO2Si/c1-7-21(24)23(18(2)3)25-26(22(4,5)6,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h7-18H,1H2,2-6H3
InChIKeyNHBDOSNCXRPIEL-UHFFFAOYSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.57
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-ylprop-2-enamide?
The IUPAC name of N-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-ylprop-2-enamide (CID 54110973) is N-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for N-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-ylprop-2-enamide?
The canonical SMILES for N-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-ylprop-2-enamide is C=CC(=O)N(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)C.
What is the InChIKey of N-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-ylprop-2-enamide?
The InChIKey is NHBDOSNCXRPIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2Si/c1-7-21(24)23(18(2)3)25-26(22(4,5)6,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h7-18H,1H2,2-6H3.
What are the key properties of N-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-ylprop-2-enamide?
N-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-ylprop-2-enamide has a molecular weight of 367.57 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 54110973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).