2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethyl N-[3-[[3-[bis(2-hydroxyethyl)carbamoylamino]phenyl]methyl]-5-[[3-[2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethoxycarbonylamino]phenyl]methyl]phenyl]carbamate

C47H78N4O15Si4 — CID 89341314

IUPAC2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethyl N-[3-[[3-[bis(2-hydroxyethyl)carbamoylamino]phenyl]methyl]-5-[[3-[2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethoxycarbonylamino]phenyl]methyl]phenyl]carbamate
SMILESC[Si](C)(COCCO)O[Si](C)(C)COCCOC(=O)Nc1cccc(Cc2cc(Cc3cccc(NC(=O)N(CCO)CCO)c3)cc(NC(=O)OCCOC[Si](C)(C)O[Si](C)(C)COCCO)c2)c1
InChIInChI=1S/C47H78N4O15Si4/c1-67(2,34-59-21-19-54)65-69(5,6)36-61-23-25-63-46(57)49-43-14-10-12-39(31-43)28-41-29-40(27-38-11-9-13-42(30-38)48-45(56)51(15-17-52)16-18-53)32-44(33-41)50-47(58)64-26-24-62-37-70(7,8)66-68(3,4)35-60-22-20-55/h9-14,29-33,52-55H,15-28,34-37H2,1-8H3,(H,48,56)(H,49,57)(H,50,58)
InChIKeyZZHCGYDGNLKLPH-UHFFFAOYSA-N
MW1051.50 g/mol
LogP5.85
Rot. Bonds33

About 2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethyl N-[3-[[3-[bis(2-hydroxyethyl)carbamoylamino]phenyl]methyl]-5-[[3-[2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethoxycarbonylamino]phenyl]methyl]phenyl]carbamate

2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethyl N-[3-[[3-[bis(2-hydroxyethyl)carbamoylamino]phenyl]methyl]-5-[[3-[2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethoxycarbonylamino]phenyl]methyl]phenyl]carbamate (PubChem CID 89341314) has the molecular formula C47H78N4O15Si4 and a molecular weight of 1051.50 g/mol. Its IUPAC name is 2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethyl N-[3-[[3-[bis(2-hydroxyethyl)carbamoylamino]phenyl]methyl]-5-[[3-[2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethoxycarbonylamino]phenyl]methyl]phenyl]carbamate.

Molecular Properties

Compound Name2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethyl N-[3-[[3-[bis(2-hydroxyethyl)carbamoylamino]phenyl]methyl]-5-[[3-[2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethoxycarbonylamino]phenyl]methyl]phenyl]carbamate
PubChem CID89341314
Molecular FormulaC47H78N4O15Si4
Molecular Weight1051.50 g/mol
Exact Mass1050.45
IUPAC Name2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethyl N-[3-[[3-[bis(2-hydroxyethyl)carbamoylamino]phenyl]methyl]-5-[[3-[2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethoxycarbonylamino]phenyl]methyl]phenyl]carbamate
SMILESC[Si](C)(COCCO)O[Si](C)(C)COCCOC(=O)Nc1cccc(Cc2cc(Cc3cccc(NC(=O)N(CCO)CCO)c3)cc(NC(=O)OCCOC[Si](C)(C)O[Si](C)(C)COCCO)c2)c1
InChIInChI=1S/C47H78N4O15Si4/c1-67(2,34-59-21-19-54)65-69(5,6)36-61-23-25-63-46(57)49-43-14-10-12-39(31-43)28-41-29-40(27-38-11-9-13-42(30-38)48-45(56)51(15-17-52)16-18-53)32-44(33-41)50-47(58)64-26-24-62-37-70(7,8)66-68(3,4)35-60-22-20-55/h9-14,29-33,52-55H,15-28,34-37H2,1-8H3,(H,48,56)(H,49,57)(H,50,58)
InChIKeyZZHCGYDGNLKLPH-UHFFFAOYSA-N
XLogP5.85
TPSA245.30 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds33
Heavy Atoms70
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001051.50
LogP ≤ 55.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethyl N-[3-[[3-[bis(2-hydroxyethyl)carbamoylamino]phenyl]methyl]-5-[[3-[2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethoxycarbonylamino]phenyl]methyl]phenyl]carbamate with MolForge

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Related Compounds

CID 89449700
CID 89449700
methylsilylmethyl N-[3-[[3-[[2-hydroxyethyl(methyl)carbamoyl]amino]phenyl]methyl]-5-[[3-(methylsilylmethoxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 158025110
3-[3-(chloromethyl)phenyl]-1,1-bis(2-hydroxyethyl)urea
CID 57213701
2-hydroxyethyl N-[3-[[acetyl(methyl)amino]methyl]phenyl]carbamate
CID 79345177
3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea
CID 61347604
2-(2-hydroxyethoxy)ethyl N-(3,5-dimethylphenyl)carbamate
CID 140960691
2-hydroxyethyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
CID 79345593
3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 110929481
3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111102179
2-hydroxyethyl N-[3-(methylcarbamoyl)phenyl]carbamate
CID 79346068
1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea
CID 60736581
2-hydroxyethyl N-(3-hydroxyphenyl)carbamate
CID 79345264

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethyl N-[3-[[3-[bis(2-hydroxyethyl)carbamoylamino]phenyl]methyl]-5-[[3-[2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethoxycarbonylamino]phenyl]methyl]phenyl]carbamate?
The IUPAC name of 2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethyl N-[3-[[3-[bis(2-hydroxyethyl)carbamoylamino]phenyl]methyl]-5-[[3-[2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethoxycarbonylamino]phenyl]methyl]phenyl]carbamate (CID 89341314) is 2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethyl N-[3-[[3-[bis(2-hydroxyethyl)carbamoylamino]phenyl]methyl]-5-[[3-[2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethoxycarbonylamino]phenyl]methyl]phenyl]carbamate.
What is the SMILES notation for 2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethyl N-[3-[[3-[bis(2-hydroxyethyl)carbamoylamino]phenyl]methyl]-5-[[3-[2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethoxycarbonylamino]phenyl]methyl]phenyl]carbamate?
The canonical SMILES for 2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethyl N-[3-[[3-[bis(2-hydroxyethyl)carbamoylamino]phenyl]methyl]-5-[[3-[2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethoxycarbonylamino]phenyl]methyl]phenyl]carbamate is C[Si](C)(COCCO)O[Si](C)(C)COCCOC(=O)Nc1cccc(Cc2cc(Cc3cccc(NC(=O)N(CCO)CCO)c3)cc(NC(=O)OCCOC[Si](C)(C)O[Si](C)(C)COCCO)c2)c1.
What is the InChIKey of 2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethyl N-[3-[[3-[bis(2-hydroxyethyl)carbamoylamino]phenyl]methyl]-5-[[3-[2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethoxycarbonylamino]phenyl]methyl]phenyl]carbamate?
The InChIKey is ZZHCGYDGNLKLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H78N4O15Si4/c1-67(2,34-59-21-19-54)65-69(5,6)36-61-23-25-63-46(57)49-43-14-10-12-39(31-43)28-41-29-40(27-38-11-9-13-42(30-38)48-45(56)51(15-17-52)16-18-53)32-44(33-41)50-47(58)64-26-24-62-37-70(7,8)66-68(3,4)35-60-22-20-55/h9-14,29-33,52-55H,15-28,34-37H2,1-8H3,(H,48,56)(H,49,57)(H,50,58).
What are the key properties of 2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethyl N-[3-[[3-[bis(2-hydroxyethyl)carbamoylamino]phenyl]methyl]-5-[[3-[2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethoxycarbonylamino]phenyl]methyl]phenyl]carbamate?
2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethyl N-[3-[[3-[bis(2-hydroxyethyl)carbamoylamino]phenyl]methyl]-5-[[3-[2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethoxycarbonylamino]phenyl]methyl]phenyl]carbamate has a molecular weight of 1051.50 g/mol, XLogP of 5.85, 33 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethyl N-[3-[[3-[bis(2-hydroxyethyl)carbamoylamino]phenyl]methyl]-5-[[3-[2-[[[2-hydroxyethoxymethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxy]ethoxycarbonylamino]phenyl]methyl]phenyl]carbamate is sourced from PubChem (CID 89341314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).