N-[5-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-nitrophenyl]formamide

C24H26N2O5Si — CID 58622923

IUPACN-[5-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-nitrophenyl]formamide
SMILESCOc1cc([N+](=O)[O-])c(NC=O)cc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H26N2O5Si/c1-24(2,3)32(18-11-7-5-8-12-18,19-13-9-6-10-14-19)31-23-15-20(25-17-27)21(26(28)29)16-22(23)30-4/h5-17H,1-4H3,(H,25,27)
InChIKeyHDESYFJZWASQHZ-UHFFFAOYSA-N
MW450.57 g/mol
LogP4.11
Rot. Bonds8

About N-[5-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-nitrophenyl]formamide

N-[5-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-nitrophenyl]formamide (PubChem CID 58622923) has the molecular formula C24H26N2O5Si and a molecular weight of 450.57 g/mol. Its IUPAC name is N-[5-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-nitrophenyl]formamide.

Molecular Properties

Compound NameN-[5-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-nitrophenyl]formamide
PubChem CID58622923
Molecular FormulaC24H26N2O5Si
Molecular Weight450.57 g/mol
Exact Mass450.16
IUPAC NameN-[5-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-nitrophenyl]formamide
SMILESCOc1cc([N+](=O)[O-])c(NC=O)cc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H26N2O5Si/c1-24(2,3)32(18-11-7-5-8-12-18,19-13-9-6-10-14-19)31-23-15-20(25-17-27)21(26(28)29)16-22(23)30-4/h5-17H,1-4H3,(H,25,27)
InChIKeyHDESYFJZWASQHZ-UHFFFAOYSA-N
XLogP4.11
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-amino-5-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]formamide
CID 58622914
tert-butyl-(2-nitrophenoxy)-diphenylsilane
CID 91423635
4-[tert-butyl(diphenyl)silyl]oxy-3-methoxybenzaldehyde
CID 11395179
4,5-dimethoxy-2-nitro-N-phenylaniline
CID 22004113
N-(5-methoxy-2-methyl-4-nitrophenyl)formamide
CID 168654239
N-(5-fluoro-2-methoxy-4-nitrophenyl)formamide
CID 168650974
1-(4,5-dimethoxy-2-nitrophenyl)-3-phenylurea
CID 110446745
(4,5-dimethoxy-2-nitrophenyl)hydrazine
CID 11435818
1-(4,5-dimethoxy-2-nitroanilino)-2-methylpropan-2-ol
CID 83008395
4,5-dimethoxy-2-nitro-N-propylaniline
CID 83008389
4,5-dimethoxy-N-(2-methoxyethyl)-2-nitroaniline
CID 83008459
2-(4,5-dimethoxy-2-nitroanilino)-2-methylpropanamide
CID 83007846

Frequently Asked Questions

What is the IUPAC name of N-[5-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-nitrophenyl]formamide?
The IUPAC name of N-[5-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-nitrophenyl]formamide (CID 58622923) is N-[5-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-nitrophenyl]formamide.
What is the SMILES notation for N-[5-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-nitrophenyl]formamide?
The canonical SMILES for N-[5-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-nitrophenyl]formamide is COc1cc([N+](=O)[O-])c(NC=O)cc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[5-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-nitrophenyl]formamide?
The InChIKey is HDESYFJZWASQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5Si/c1-24(2,3)32(18-11-7-5-8-12-18,19-13-9-6-10-14-19)31-23-15-20(25-17-27)21(26(28)29)16-22(23)30-4/h5-17H,1-4H3,(H,25,27).
What are the key properties of N-[5-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-nitrophenyl]formamide?
N-[5-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-nitrophenyl]formamide has a molecular weight of 450.57 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-nitrophenyl]formamide is sourced from PubChem (CID 58622923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).