1-ethyl-1-[3-[[[[3-[ethyl(3-triethoxysilylpropylcarbamoyl)amino]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-3-(3-triethoxysilylpropyl)urea

C38H88N4O10Si5 — CID 90444026

IUPAC1-ethyl-1-[3-[[[[3-[ethyl(3-triethoxysilylpropylcarbamoyl)amino]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-3-(3-triethoxysilylpropyl)urea
SMILESCCO[Si](CCCNC(=O)N(CC)CC(C)C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC(C)CN(CC)C(=O)NCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C38H88N4O10Si5/c1-17-41(37(43)39-27-25-29-56(45-19-3,46-20-4)47-21-5)31-35(9)33-53(11,12)51-55(15,16)52-54(13,14)34-36(10)32-42(18-2)38(44)40-28-26-30-57(48-22-6,49-23-7)50-24-8/h35-36H,17-34H2,1-16H3,(H,39,43)(H,40,44)
InChIKeyQUVRVXOPZPYEAR-UHFFFAOYSA-N
MW901.57 g/mol
LogP8.34
Rot. Bonds34

About 1-ethyl-1-[3-[[[[3-[ethyl(3-triethoxysilylpropylcarbamoyl)amino]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-3-(3-triethoxysilylpropyl)urea

1-ethyl-1-[3-[[[[3-[ethyl(3-triethoxysilylpropylcarbamoyl)amino]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-3-(3-triethoxysilylpropyl)urea (PubChem CID 90444026) has the molecular formula C38H88N4O10Si5 and a molecular weight of 901.57 g/mol. Its IUPAC name is 1-ethyl-1-[3-[[[[3-[ethyl(3-triethoxysilylpropylcarbamoyl)amino]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-3-(3-triethoxysilylpropyl)urea.

Molecular Properties

Compound Name1-ethyl-1-[3-[[[[3-[ethyl(3-triethoxysilylpropylcarbamoyl)amino]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-3-(3-triethoxysilylpropyl)urea
PubChem CID90444026
Molecular FormulaC38H88N4O10Si5
Molecular Weight901.57 g/mol
Exact Mass900.53
IUPAC Name1-ethyl-1-[3-[[[[3-[ethyl(3-triethoxysilylpropylcarbamoyl)amino]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-3-(3-triethoxysilylpropyl)urea
SMILESCCO[Si](CCCNC(=O)N(CC)CC(C)C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC(C)CN(CC)C(=O)NCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C38H88N4O10Si5/c1-17-41(37(43)39-27-25-29-56(45-19-3,46-20-4)47-21-5)31-35(9)33-53(11,12)51-55(15,16)52-54(13,14)34-36(10)32-42(18-2)38(44)40-28-26-30-57(48-22-6,49-23-7)50-24-8/h35-36H,17-34H2,1-16H3,(H,39,43)(H,40,44)
InChIKeyQUVRVXOPZPYEAR-UHFFFAOYSA-N
XLogP8.34
TPSA138.52 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds34
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.57
LogP ≤ 58.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-ethyl-1-[3-[[[[3-[ethyl(3-triethoxysilylpropylcarbamoyl)amino]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-3-(3-triethoxysilylpropyl)urea with MolForge

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Related Compounds

1,1-dipropyl-3-(3-triethoxysilylpropyl)urea
CID 59782779
5-[[ethyl-(2-methyl-3-trimethoxysilylpropyl)carbamoyl]amino]-2-methylpent-2-enoic acid
CID 175043717
propan-2-yl N-(3-triethoxysilylpropyl)carbamate
CID 87069299
1-(3-triethoxysilylpropyl)-3-[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]urea
CID 87657796
1-[2-(methylamino)ethyl]-1-[2-(phosphanylamino)ethyl]-3-(3-triethoxysilylpropyl)urea;propan-2-one
CID 160690562
1-ethyl-1-phenyl-3-(3-triethoxysilylpropyl)urea
CID 91387423
silane;3-triethoxysilylpropylurea
CID 161180470
2-amino-N-(3-triethoxysilylpropyl)acetamide
CID 59561209
2-[methyl(3-triethoxysilylpropylcarbamoyl)amino]-N-(3-trimethoxysilylpropyl)acetamide
CID 10289103
N-(3-triethoxysilylpropyl)butanamide
CID 20829613
1-[2-[2-aminoethyl(phosphanyl)amino]ethyl]-1-[2-(methylamino)ethyl]-3-(3-triethoxysilylpropyl)urea
CID 22964411
1-(3-triethoxysilylpropyl)-3-[(3-triethoxysilylpropylcarbamoylamino)carbamothioylamino]urea
CID 102174342

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[3-[[[[3-[ethyl(3-triethoxysilylpropylcarbamoyl)amino]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-3-(3-triethoxysilylpropyl)urea?
The IUPAC name of 1-ethyl-1-[3-[[[[3-[ethyl(3-triethoxysilylpropylcarbamoyl)amino]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-3-(3-triethoxysilylpropyl)urea (CID 90444026) is 1-ethyl-1-[3-[[[[3-[ethyl(3-triethoxysilylpropylcarbamoyl)amino]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-3-(3-triethoxysilylpropyl)urea.
What is the SMILES notation for 1-ethyl-1-[3-[[[[3-[ethyl(3-triethoxysilylpropylcarbamoyl)amino]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-3-(3-triethoxysilylpropyl)urea?
The canonical SMILES for 1-ethyl-1-[3-[[[[3-[ethyl(3-triethoxysilylpropylcarbamoyl)amino]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-3-(3-triethoxysilylpropyl)urea is CCO[Si](CCCNC(=O)N(CC)CC(C)C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CC(C)CN(CC)C(=O)NCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of 1-ethyl-1-[3-[[[[3-[ethyl(3-triethoxysilylpropylcarbamoyl)amino]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-3-(3-triethoxysilylpropyl)urea?
The InChIKey is QUVRVXOPZPYEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H88N4O10Si5/c1-17-41(37(43)39-27-25-29-56(45-19-3,46-20-4)47-21-5)31-35(9)33-53(11,12)51-55(15,16)52-54(13,14)34-36(10)32-42(18-2)38(44)40-28-26-30-57(48-22-6,49-23-7)50-24-8/h35-36H,17-34H2,1-16H3,(H,39,43)(H,40,44).
What are the key properties of 1-ethyl-1-[3-[[[[3-[ethyl(3-triethoxysilylpropylcarbamoyl)amino]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-3-(3-triethoxysilylpropyl)urea?
1-ethyl-1-[3-[[[[3-[ethyl(3-triethoxysilylpropylcarbamoyl)amino]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-3-(3-triethoxysilylpropyl)urea has a molecular weight of 901.57 g/mol, XLogP of 8.34, 34 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[3-[[[[3-[ethyl(3-triethoxysilylpropylcarbamoyl)amino]-2-methylpropyl]-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2-methylpropyl]-3-(3-triethoxysilylpropyl)urea is sourced from PubChem (CID 90444026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).