N-[5-[2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-trimethylsilyloxyethyl]-2-trimethylsilyloxyphenyl]-N-trimethylsilylformamide

C28H48N2O4Si3 — CID 633401

IUPACN-[5-[2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-trimethylsilyloxyethyl]-2-trimethylsilyloxyphenyl]-N-trimethylsilylformamide
SMILESCOc1ccc(CC(C)NCC(O[Si](C)(C)C)c2ccc(O[Si](C)(C)C)c(N(C=O)[Si](C)(C)C)c2)cc1
InChIInChI=1S/C28H48N2O4Si3/c1-22(18-23-12-15-25(32-2)16-13-23)29-20-28(34-37(9,10)11)24-14-17-27(33-36(6,7)8)26(19-24)30(21-31)35(3,4)5/h12-17,19,21-22,28-29H,18,20H2,1-11H3
InChIKeyFDGQNEBQNDXEIS-UHFFFAOYSA-N
MW560.96 g/mol
LogP6.82
Rot. Bonds14

About N-[5-[2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-trimethylsilyloxyethyl]-2-trimethylsilyloxyphenyl]-N-trimethylsilylformamide

N-[5-[2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-trimethylsilyloxyethyl]-2-trimethylsilyloxyphenyl]-N-trimethylsilylformamide (PubChem CID 633401) has the molecular formula C28H48N2O4Si3 and a molecular weight of 560.96 g/mol. Its IUPAC name is N-[5-[2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-trimethylsilyloxyethyl]-2-trimethylsilyloxyphenyl]-N-trimethylsilylformamide.

Molecular Properties

Compound NameN-[5-[2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-trimethylsilyloxyethyl]-2-trimethylsilyloxyphenyl]-N-trimethylsilylformamide
PubChem CID633401
Molecular FormulaC28H48N2O4Si3
Molecular Weight560.96 g/mol
Exact Mass560.29
IUPAC NameN-[5-[2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-trimethylsilyloxyethyl]-2-trimethylsilyloxyphenyl]-N-trimethylsilylformamide
SMILESCOc1ccc(CC(C)NCC(O[Si](C)(C)C)c2ccc(O[Si](C)(C)C)c(N(C=O)[Si](C)(C)C)c2)cc1
InChIInChI=1S/C28H48N2O4Si3/c1-22(18-23-12-15-25(32-2)16-13-23)29-20-28(34-37(9,10)11)24-14-17-27(33-36(6,7)8)26(19-24)30(21-31)35(3,4)5/h12-17,19,21-22,28-29H,18,20H2,1-11H3
InChIKeyFDGQNEBQNDXEIS-UHFFFAOYSA-N
XLogP6.82
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.96
LogP ≤ 56.82
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-trimethylsilyloxyethyl]-2-trimethylsilyloxyphenyl]-N-trimethylsilylformamide?
The IUPAC name of N-[5-[2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-trimethylsilyloxyethyl]-2-trimethylsilyloxyphenyl]-N-trimethylsilylformamide (CID 633401) is N-[5-[2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-trimethylsilyloxyethyl]-2-trimethylsilyloxyphenyl]-N-trimethylsilylformamide.
What is the SMILES notation for N-[5-[2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-trimethylsilyloxyethyl]-2-trimethylsilyloxyphenyl]-N-trimethylsilylformamide?
The canonical SMILES for N-[5-[2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-trimethylsilyloxyethyl]-2-trimethylsilyloxyphenyl]-N-trimethylsilylformamide is COc1ccc(CC(C)NCC(O[Si](C)(C)C)c2ccc(O[Si](C)(C)C)c(N(C=O)[Si](C)(C)C)c2)cc1.
What is the InChIKey of N-[5-[2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-trimethylsilyloxyethyl]-2-trimethylsilyloxyphenyl]-N-trimethylsilylformamide?
The InChIKey is FDGQNEBQNDXEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48N2O4Si3/c1-22(18-23-12-15-25(32-2)16-13-23)29-20-28(34-37(9,10)11)24-14-17-27(33-36(6,7)8)26(19-24)30(21-31)35(3,4)5/h12-17,19,21-22,28-29H,18,20H2,1-11H3.
What are the key properties of N-[5-[2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-trimethylsilyloxyethyl]-2-trimethylsilyloxyphenyl]-N-trimethylsilylformamide?
N-[5-[2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-trimethylsilyloxyethyl]-2-trimethylsilyloxyphenyl]-N-trimethylsilylformamide has a molecular weight of 560.96 g/mol, XLogP of 6.82, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-trimethylsilyloxyethyl]-2-trimethylsilyloxyphenyl]-N-trimethylsilylformamide is sourced from PubChem (CID 633401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).