2-[4-[4-[2-[bis(2-trimethylsilyloxyethyl)amino]-2-oxoethyl]phenyl]phenyl]-N,N-bis(2-trimethylsilyloxyethyl)acetamide

C36H64N2O6Si4 — CID 156692649

IUPAC2-[4-[4-[2-[bis(2-trimethylsilyloxyethyl)amino]-2-oxoethyl]phenyl]phenyl]-N,N-bis(2-trimethylsilyloxyethyl)acetamide
SMILESC[Si](C)(C)OCCN(CCO[Si](C)(C)C)C(=O)Cc1ccc(-c2ccc(CC(=O)N(CCO[Si](C)(C)C)CCO[Si](C)(C)C)cc2)cc1
InChIInChI=1S/C36H64N2O6Si4/c1-45(2,3)41-25-21-37(22-26-42-46(4,5)6)35(39)29-31-13-17-33(18-14-31)34-19-15-32(16-20-34)30-36(40)38(23-27-43-47(7,8)9)24-28-44-48(10,11)12/h13-20H,21-30H2,1-12H3
InChIKeyBFCZNRHGTJSDCO-UHFFFAOYSA-N
MW733.26 g/mol
LogP7.50
Rot. Bonds21

About 2-[4-[4-[2-[bis(2-trimethylsilyloxyethyl)amino]-2-oxoethyl]phenyl]phenyl]-N,N-bis(2-trimethylsilyloxyethyl)acetamide

2-[4-[4-[2-[bis(2-trimethylsilyloxyethyl)amino]-2-oxoethyl]phenyl]phenyl]-N,N-bis(2-trimethylsilyloxyethyl)acetamide (PubChem CID 156692649) has the molecular formula C36H64N2O6Si4 and a molecular weight of 733.26 g/mol. Its IUPAC name is 2-[4-[4-[2-[bis(2-trimethylsilyloxyethyl)amino]-2-oxoethyl]phenyl]phenyl]-N,N-bis(2-trimethylsilyloxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-[2-[bis(2-trimethylsilyloxyethyl)amino]-2-oxoethyl]phenyl]phenyl]-N,N-bis(2-trimethylsilyloxyethyl)acetamide
PubChem CID156692649
Molecular FormulaC36H64N2O6Si4
Molecular Weight733.26 g/mol
Exact Mass732.38
IUPAC Name2-[4-[4-[2-[bis(2-trimethylsilyloxyethyl)amino]-2-oxoethyl]phenyl]phenyl]-N,N-bis(2-trimethylsilyloxyethyl)acetamide
SMILESC[Si](C)(C)OCCN(CCO[Si](C)(C)C)C(=O)Cc1ccc(-c2ccc(CC(=O)N(CCO[Si](C)(C)C)CCO[Si](C)(C)C)cc2)cc1
InChIInChI=1S/C36H64N2O6Si4/c1-45(2,3)41-25-21-37(22-26-42-46(4,5)6)35(39)29-31-13-17-33(18-14-31)34-19-15-32(16-20-34)30-36(40)38(23-27-43-47(7,8)9)24-28-44-48(10,11)12/h13-20H,21-30H2,1-12H3
InChIKeyBFCZNRHGTJSDCO-UHFFFAOYSA-N
XLogP7.50
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.26
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-2,2-diphenylacetamide
CID 921388
N-ethyl-N-(2-hydroxyethyl)-2,2-diphenylacetamide
CID 921277
(1,1'-Biphenyl)-4,4'-diethanaminium, N,N'-bis(2-hydroxyethyl)-N,N,N',N'-tetramethyl-beta,beta'-dioxo-, dibromide
CID 6308
Ammonium, (4,4'-biphenylenebis(2-oxoethylene))bis(dimethyl(1,1-dimethyl-2-hydroxyethyl)-, dibromide, hemihydrate
CID 27116
Acetyl-seco-hemicholinium-3
CID 38453
Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((2-ethoxyethyl)dimethyl-, dibromide
CID 42790
Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((4-oxopentyl)dimethyl-, dibromide
CID 42792
Ammonium, (methylenebis(p-phenylene)bis(2-oxoethylene))bis((2-hydroxyethyl)dimethyl-, dibromide
CID 46929
Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((1-pentyl)dimethyl-, dibromide
CID 48176
Ammonium, 4,4'-biphenylenebis(2-oxoethylene)bis(triethyl-, dibromide
CID 53972
Ammonium, 4,4'-biphenylenebis(3-oxopropylene)bis(dimethyl(2-hydroxyethyl)-, dibromide
CID 53973
Ammonium, 4,4'-biphenylenebis(2-oxoethylene)bis(diethyl(3-hydroxypropyl)-, dibromide
CID 54010

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[bis(2-trimethylsilyloxyethyl)amino]-2-oxoethyl]phenyl]phenyl]-N,N-bis(2-trimethylsilyloxyethyl)acetamide?
The IUPAC name of 2-[4-[4-[2-[bis(2-trimethylsilyloxyethyl)amino]-2-oxoethyl]phenyl]phenyl]-N,N-bis(2-trimethylsilyloxyethyl)acetamide (CID 156692649) is 2-[4-[4-[2-[bis(2-trimethylsilyloxyethyl)amino]-2-oxoethyl]phenyl]phenyl]-N,N-bis(2-trimethylsilyloxyethyl)acetamide.
What is the SMILES notation for 2-[4-[4-[2-[bis(2-trimethylsilyloxyethyl)amino]-2-oxoethyl]phenyl]phenyl]-N,N-bis(2-trimethylsilyloxyethyl)acetamide?
The canonical SMILES for 2-[4-[4-[2-[bis(2-trimethylsilyloxyethyl)amino]-2-oxoethyl]phenyl]phenyl]-N,N-bis(2-trimethylsilyloxyethyl)acetamide is C[Si](C)(C)OCCN(CCO[Si](C)(C)C)C(=O)Cc1ccc(-c2ccc(CC(=O)N(CCO[Si](C)(C)C)CCO[Si](C)(C)C)cc2)cc1.
What is the InChIKey of 2-[4-[4-[2-[bis(2-trimethylsilyloxyethyl)amino]-2-oxoethyl]phenyl]phenyl]-N,N-bis(2-trimethylsilyloxyethyl)acetamide?
The InChIKey is BFCZNRHGTJSDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H64N2O6Si4/c1-45(2,3)41-25-21-37(22-26-42-46(4,5)6)35(39)29-31-13-17-33(18-14-31)34-19-15-32(16-20-34)30-36(40)38(23-27-43-47(7,8)9)24-28-44-48(10,11)12/h13-20H,21-30H2,1-12H3.
What are the key properties of 2-[4-[4-[2-[bis(2-trimethylsilyloxyethyl)amino]-2-oxoethyl]phenyl]phenyl]-N,N-bis(2-trimethylsilyloxyethyl)acetamide?
2-[4-[4-[2-[bis(2-trimethylsilyloxyethyl)amino]-2-oxoethyl]phenyl]phenyl]-N,N-bis(2-trimethylsilyloxyethyl)acetamide has a molecular weight of 733.26 g/mol, XLogP of 7.50, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-[bis(2-trimethylsilyloxyethyl)amino]-2-oxoethyl]phenyl]phenyl]-N,N-bis(2-trimethylsilyloxyethyl)acetamide is sourced from PubChem (CID 156692649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).