2-acetamido-N-ethyl-N-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentyl]acetamide;N-[1,3-bis(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropoxymethyl)propan-2-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(2-trimethoxysilylethyl)heptan-4-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(3-trimethoxysilylpropyl)heptan-4-yl]-N-ethylacetamide;N-ethyl-N-[6-trimethoxysilyl-3,3-bis(3-trimethoxysilylpropyl)hexyl]acetamide;N-ethyl-N-[3-(3-trimethoxysilylpropoxy)-2,2-bis(3-trimethoxysilylpropoxymethyl)propyl]acetamide

C149H339N7O67Si18 — CID 160808563

IUPAC2-acetamido-N-ethyl-N-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentyl]acetamide;N-[1,3-bis(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropoxymethyl)propan-2-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(2-trimethoxysilylethyl)heptan-4-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(3-trimethoxysilylpropyl)heptan-4-yl]-N-ethylacetamide;N-ethyl-N-[6-trimethoxysilyl-3,3-bis(3-trimethoxysilylpropyl)hexyl]acetamide;N-ethyl-N-[3-(3-trimethoxysilylpropoxy)-2,2-bis(3-trimethoxysilylpropoxymethyl)propyl]acetamide
SMILESCCN(C(C)=O)C(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC.CCN(C(C)=O)C(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CC[Si](OC)(OC)OC.CCN(C(C)=O)C(COCCC[Si](OC)(OC)OC)(COCCC[Si](OC)(OC)OC)COCCC[Si](OC)(OC)OC.CCN(CC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)C(=O)CNC(C)=O.CCN(CC(COCCC[Si](OC)(OC)OC)(COCCC[Si](OC)(OC)OC)COCCC[Si](OC)(OC)OC)C(C)=O.CCN(CCC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)C(C)=O
InChIInChI=1S/C27H61NO13Si3.C26H58N2O11Si3.C26H59NO13Si3.C25H57NO10Si3.C23H53NO10Si3.C22H51NO10Si3/c1-12-28(26(2)29)22-27(23-39-16-13-19-42(30-3,31-4)32-5,24-40-17-14-20-43(33-6,34-7)35-8)25-41-18-15-21-44(36-9,37-10)38-11;1-12-28(25(30)22-27-24(2)29)23-26(16-13-19-40(31-3,32-4)33-5,17-14-20-41(34-6,35-7)36-8)18-15-21-42(37-9,38-10)39-11;1-12-27(25(2)28)26(22-38-16-13-19-41(29-3,30-4)31-5,23-39-17-14-20-42(32-6,33-7)34-8)24-40-18-15-21-43(35-9,36-10)37-11;1-12-26(24(2)27)20-19-25(16-13-21-37(28-3,29-4)30-5,17-14-22-38(31-6,32-7)33-8)18-15-23-39(34-9,35-10)36-11;1-12-24(22(2)25)23(16-13-19-35(26-3,27-4)28-5,17-14-20-36(29-6,30-7)31-8)18-15-21-37(32-9,33-10)34-11;1-12-23(21(2)24)22(17-20-36(31-9,32-10)33-11,15-13-18-34(25-3,26-4)27-5)16-14-19-35(28-6,29-7)30-8/h12-25H2,1-11H3;12-23H2,1-11H3,(H,27,29);12-24H2,1-11H3;12-23H2,1-11H3;12-21H2,1-11H3;12-20H2,1-11H3
InChIKeySEACPENHPCACEA-UHFFFAOYSA-N
MW3806.88 g/mol
LogP19.03
Rot. Bonds155

About 2-acetamido-N-ethyl-N-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentyl]acetamide;N-[1,3-bis(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropoxymethyl)propan-2-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(2-trimethoxysilylethyl)heptan-4-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(3-trimethoxysilylpropyl)heptan-4-yl]-N-ethylacetamide;N-ethyl-N-[6-trimethoxysilyl-3,3-bis(3-trimethoxysilylpropyl)hexyl]acetamide;N-ethyl-N-[3-(3-trimethoxysilylpropoxy)-2,2-bis(3-trimethoxysilylpropoxymethyl)propyl]acetamide

2-acetamido-N-ethyl-N-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentyl]acetamide;N-[1,3-bis(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropoxymethyl)propan-2-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(2-trimethoxysilylethyl)heptan-4-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(3-trimethoxysilylpropyl)heptan-4-yl]-N-ethylacetamide;N-ethyl-N-[6-trimethoxysilyl-3,3-bis(3-trimethoxysilylpropyl)hexyl]acetamide;N-ethyl-N-[3-(3-trimethoxysilylpropoxy)-2,2-bis(3-trimethoxysilylpropoxymethyl)propyl]acetamide (PubChem CID 160808563) has the molecular formula C149H339N7O67Si18 and a molecular weight of 3806.88 g/mol. Its IUPAC name is 2-acetamido-N-ethyl-N-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentyl]acetamide;N-[1,3-bis(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropoxymethyl)propan-2-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(2-trimethoxysilylethyl)heptan-4-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(3-trimethoxysilylpropyl)heptan-4-yl]-N-ethylacetamide;N-ethyl-N-[6-trimethoxysilyl-3,3-bis(3-trimethoxysilylpropyl)hexyl]acetamide;N-ethyl-N-[3-(3-trimethoxysilylpropoxy)-2,2-bis(3-trimethoxysilylpropoxymethyl)propyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-ethyl-N-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentyl]acetamide;N-[1,3-bis(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropoxymethyl)propan-2-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(2-trimethoxysilylethyl)heptan-4-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(3-trimethoxysilylpropyl)heptan-4-yl]-N-ethylacetamide;N-ethyl-N-[6-trimethoxysilyl-3,3-bis(3-trimethoxysilylpropyl)hexyl]acetamide;N-ethyl-N-[3-(3-trimethoxysilylpropoxy)-2,2-bis(3-trimethoxysilylpropoxymethyl)propyl]acetamide
PubChem CID160808563
Molecular FormulaC149H339N7O67Si18
Molecular Weight3806.88 g/mol
Exact Mass3802.92
IUPAC Name2-acetamido-N-ethyl-N-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentyl]acetamide;N-[1,3-bis(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropoxymethyl)propan-2-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(2-trimethoxysilylethyl)heptan-4-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(3-trimethoxysilylpropyl)heptan-4-yl]-N-ethylacetamide;N-ethyl-N-[6-trimethoxysilyl-3,3-bis(3-trimethoxysilylpropyl)hexyl]acetamide;N-ethyl-N-[3-(3-trimethoxysilylpropoxy)-2,2-bis(3-trimethoxysilylpropoxymethyl)propyl]acetamide
SMILESCCN(C(C)=O)C(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC.CCN(C(C)=O)C(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CC[Si](OC)(OC)OC.CCN(C(C)=O)C(COCCC[Si](OC)(OC)OC)(COCCC[Si](OC)(OC)OC)COCCC[Si](OC)(OC)OC.CCN(CC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)C(=O)CNC(C)=O.CCN(CC(COCCC[Si](OC)(OC)OC)(COCCC[Si](OC)(OC)OC)COCCC[Si](OC)(OC)OC)C(C)=O.CCN(CCC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)C(C)=O
InChIInChI=1S/C27H61NO13Si3.C26H58N2O11Si3.C26H59NO13Si3.C25H57NO10Si3.C23H53NO10Si3.C22H51NO10Si3/c1-12-28(26(2)29)22-27(23-39-16-13-19-42(30-3,31-4)32-5,24-40-17-14-20-43(33-6,34-7)35-8)25-41-18-15-21-44(36-9,37-10)38-11;1-12-28(25(30)22-27-24(2)29)23-26(16-13-19-40(31-3,32-4)33-5,17-14-20-41(34-6,35-7)36-8)18-15-21-42(37-9,38-10)39-11;1-12-27(25(2)28)26(22-38-16-13-19-41(29-3,30-4)31-5,23-39-17-14-20-42(32-6,33-7)34-8)24-40-18-15-21-43(35-9,36-10)37-11;1-12-26(24(2)27)20-19-25(16-13-21-37(28-3,29-4)30-5,17-14-22-38(31-6,32-7)33-8)18-15-23-39(34-9,35-10)36-11;1-12-24(22(2)25)23(16-13-19-35(26-3,27-4)28-5,17-14-20-36(29-6,30-7)31-8)18-15-21-37(32-9,33-10)34-11;1-12-23(21(2)24)22(17-20-36(31-9,32-10)33-11,15-13-18-34(25-3,26-4)27-5)16-14-19-35(28-6,29-7)30-8/h12-25H2,1-11H3;12-23H2,1-11H3,(H,27,29);12-24H2,1-11H3;12-23H2,1-11H3;12-21H2,1-11H3;12-20H2,1-11H3
InChIKeySEACPENHPCACEA-UHFFFAOYSA-N
XLogP19.03
TPSA704.76 Ų
H-Bond Donors1
H-Bond Acceptors67
Rotatable Bonds155
Heavy Atoms241
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003806.88
LogP ≤ 519.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1067

Computed Properties (RDKit)

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

Analyze 2-acetamido-N-ethyl-N-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentyl]acetamide;N-[1,3-bis(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropoxymethyl)propan-2-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(2-trimethoxysilylethyl)heptan-4-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(3-trimethoxysilylpropyl)heptan-4-yl]-N-ethylacetamide;N-ethyl-N-[6-trimethoxysilyl-3,3-bis(3-trimethoxysilylpropyl)hexyl]acetamide;N-ethyl-N-[3-(3-trimethoxysilylpropoxy)-2,2-bis(3-trimethoxysilylpropoxymethyl)propyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-ethyl-N-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentyl]acetamide;N-[1,3-bis(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropoxymethyl)propan-2-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(2-trimethoxysilylethyl)heptan-4-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(3-trimethoxysilylpropyl)heptan-4-yl]-N-ethylacetamide;N-ethyl-N-[6-trimethoxysilyl-3,3-bis(3-trimethoxysilylpropyl)hexyl]acetamide;N-ethyl-N-[3-(3-trimethoxysilylpropoxy)-2,2-bis(3-trimethoxysilylpropoxymethyl)propyl]acetamide?
The IUPAC name of 2-acetamido-N-ethyl-N-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentyl]acetamide;N-[1,3-bis(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropoxymethyl)propan-2-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(2-trimethoxysilylethyl)heptan-4-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(3-trimethoxysilylpropyl)heptan-4-yl]-N-ethylacetamide;N-ethyl-N-[6-trimethoxysilyl-3,3-bis(3-trimethoxysilylpropyl)hexyl]acetamide;N-ethyl-N-[3-(3-trimethoxysilylpropoxy)-2,2-bis(3-trimethoxysilylpropoxymethyl)propyl]acetamide (CID 160808563) is 2-acetamido-N-ethyl-N-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentyl]acetamide;N-[1,3-bis(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropoxymethyl)propan-2-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(2-trimethoxysilylethyl)heptan-4-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(3-trimethoxysilylpropyl)heptan-4-yl]-N-ethylacetamide;N-ethyl-N-[6-trimethoxysilyl-3,3-bis(3-trimethoxysilylpropyl)hexyl]acetamide;N-ethyl-N-[3-(3-trimethoxysilylpropoxy)-2,2-bis(3-trimethoxysilylpropoxymethyl)propyl]acetamide.
What is the SMILES notation for 2-acetamido-N-ethyl-N-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentyl]acetamide;N-[1,3-bis(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropoxymethyl)propan-2-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(2-trimethoxysilylethyl)heptan-4-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(3-trimethoxysilylpropyl)heptan-4-yl]-N-ethylacetamide;N-ethyl-N-[6-trimethoxysilyl-3,3-bis(3-trimethoxysilylpropyl)hexyl]acetamide;N-ethyl-N-[3-(3-trimethoxysilylpropoxy)-2,2-bis(3-trimethoxysilylpropoxymethyl)propyl]acetamide?
The canonical SMILES for 2-acetamido-N-ethyl-N-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentyl]acetamide;N-[1,3-bis(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropoxymethyl)propan-2-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(2-trimethoxysilylethyl)heptan-4-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(3-trimethoxysilylpropyl)heptan-4-yl]-N-ethylacetamide;N-ethyl-N-[6-trimethoxysilyl-3,3-bis(3-trimethoxysilylpropyl)hexyl]acetamide;N-ethyl-N-[3-(3-trimethoxysilylpropoxy)-2,2-bis(3-trimethoxysilylpropoxymethyl)propyl]acetamide is CCN(C(C)=O)C(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC.CCN(C(C)=O)C(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CC[Si](OC)(OC)OC.CCN(C(C)=O)C(COCCC[Si](OC)(OC)OC)(COCCC[Si](OC)(OC)OC)COCCC[Si](OC)(OC)OC.CCN(CC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)C(=O)CNC(C)=O.CCN(CC(COCCC[Si](OC)(OC)OC)(COCCC[Si](OC)(OC)OC)COCCC[Si](OC)(OC)OC)C(C)=O.CCN(CCC(CCC[Si](OC)(OC)OC)(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)C(C)=O.
What is the InChIKey of 2-acetamido-N-ethyl-N-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentyl]acetamide;N-[1,3-bis(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropoxymethyl)propan-2-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(2-trimethoxysilylethyl)heptan-4-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(3-trimethoxysilylpropyl)heptan-4-yl]-N-ethylacetamide;N-ethyl-N-[6-trimethoxysilyl-3,3-bis(3-trimethoxysilylpropyl)hexyl]acetamide;N-ethyl-N-[3-(3-trimethoxysilylpropoxy)-2,2-bis(3-trimethoxysilylpropoxymethyl)propyl]acetamide?
The InChIKey is SEACPENHPCACEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H61NO13Si3.C26H58N2O11Si3.C26H59NO13Si3.C25H57NO10Si3.C23H53NO10Si3.C22H51NO10Si3/c1-12-28(26(2)29)22-27(23-39-16-13-19-42(30-3,31-4)32-5,24-40-17-14-20-43(33-6,34-7)35-8)25-41-18-15-21-44(36-9,37-10)38-11;1-12-28(25(30)22-27-24(2)29)23-26(16-13-19-40(31-3,32-4)33-5,17-14-20-41(34-6,35-7)36-8)18-15-21-42(37-9,38-10)39-11;1-12-27(25(2)28)26(22-38-16-13-19-41(29-3,30-4)31-5,23-39-17-14-20-42(32-6,33-7)34-8)24-40-18-15-21-43(35-9,36-10)37-11;1-12-26(24(2)27)20-19-25(16-13-21-37(28-3,29-4)30-5,17-14-22-38(31-6,32-7)33-8)18-15-23-39(34-9,35-10)36-11;1-12-24(22(2)25)23(16-13-19-35(26-3,27-4)28-5,17-14-20-36(29-6,30-7)31-8)18-15-21-37(32-9,33-10)34-11;1-12-23(21(2)24)22(17-20-36(31-9,32-10)33-11,15-13-18-34(25-3,26-4)27-5)16-14-19-35(28-6,29-7)30-8/h12-25H2,1-11H3;12-23H2,1-11H3,(H,27,29);12-24H2,1-11H3;12-23H2,1-11H3;12-21H2,1-11H3;12-20H2,1-11H3.
What are the key properties of 2-acetamido-N-ethyl-N-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentyl]acetamide;N-[1,3-bis(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropoxymethyl)propan-2-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(2-trimethoxysilylethyl)heptan-4-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(3-trimethoxysilylpropyl)heptan-4-yl]-N-ethylacetamide;N-ethyl-N-[6-trimethoxysilyl-3,3-bis(3-trimethoxysilylpropyl)hexyl]acetamide;N-ethyl-N-[3-(3-trimethoxysilylpropoxy)-2,2-bis(3-trimethoxysilylpropoxymethyl)propyl]acetamide?
2-acetamido-N-ethyl-N-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentyl]acetamide;N-[1,3-bis(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropoxymethyl)propan-2-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(2-trimethoxysilylethyl)heptan-4-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(3-trimethoxysilylpropyl)heptan-4-yl]-N-ethylacetamide;N-ethyl-N-[6-trimethoxysilyl-3,3-bis(3-trimethoxysilylpropyl)hexyl]acetamide;N-ethyl-N-[3-(3-trimethoxysilylpropoxy)-2,2-bis(3-trimethoxysilylpropoxymethyl)propyl]acetamide has a molecular weight of 3806.88 g/mol, XLogP of 19.03, 155 rotatable bonds, 1 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-ethyl-N-[5-trimethoxysilyl-2,2-bis(3-trimethoxysilylpropyl)pentyl]acetamide;N-[1,3-bis(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropoxymethyl)propan-2-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(2-trimethoxysilylethyl)heptan-4-yl]-N-ethylacetamide;N-[1,7-bis(trimethoxysilyl)-4-(3-trimethoxysilylpropyl)heptan-4-yl]-N-ethylacetamide;N-ethyl-N-[6-trimethoxysilyl-3,3-bis(3-trimethoxysilylpropyl)hexyl]acetamide;N-ethyl-N-[3-(3-trimethoxysilylpropoxy)-2,2-bis(3-trimethoxysilylpropoxymethyl)propyl]acetamide is sourced from PubChem (CID 160808563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).