8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-(2-aminoethyl)-N-[2-[2-(methylamino)ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-[2-(methylamino)ethylamino]ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-(methylamino)ethyl]-N-[2-[1-(3-triethoxysilylpropylcarbamoylamino)ethylamino]ethyl]octanamide

C112H221N15O18Si3 — CID 158928846

IUPAC8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-(2-aminoethyl)-N-[2-[2-(methylamino)ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-[2-(methylamino)ethylamino]ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-(methylamino)ethyl]-N-[2-[1-(3-triethoxysilylpropylcarbamoylamino)ethylamino]ethyl]octanamide
SMILESCCCCCCC1C=C(CCCCCCCC(=O)N(CCN)CCN(CCNC)C(=O)NCCC[Si](OCC)(OCC)OCC)CC(C(C)=O)C1.CCCCCCC1C=C(CCCCCCCC(=O)NCCN(CCNCCNC)C(=O)NCCC[Si](OCC)(OCC)OCC)CC(C(C)=O)C1.CCO[Si](CCCNC(=O)NC(C)NCCN(CCNC)C(=O)CCCCCCCC1=CC(C)CC(C(C)=O)C1)(OCC)OCC
InChIInChI=1S/2C39H77N5O6Si.C34H67N5O6Si/c1-7-11-12-16-20-35-31-36(33-37(32-35)34(5)45)21-17-14-13-15-18-22-38(46)43(26-23-40)28-29-44(27-25-41-6)39(47)42-24-19-30-51(48-8-2,49-9-3)50-10-4;1-7-11-12-16-20-35-31-36(33-37(32-35)34(5)45)21-17-14-13-15-18-22-38(46)42-27-29-44(28-26-41-25-24-40-6)39(47)43-23-19-30-51(48-8-2,49-9-3)50-10-4;1-8-43-46(44-9-2,45-10-3)24-16-19-37-34(42)38-30(6)36-21-23-39(22-20-35-7)33(41)18-15-13-11-12-14-17-31-25-28(4)26-32(27-31)29(5)40/h31,35,37,41H,7-30,32-33,40H2,1-6H3,(H,42,47);31,35,37,40-41H,7-30,32-33H2,1-6H3,(H,42,46)(H,43,47);25,28,30,32,35-36H,8-24,26-27H2,1-7H3,(H2,37,38,42)
InChIKeyJIUCMRFPPRQCMS-UHFFFAOYSA-N
MW2150.34 g/mol
LogP18.29
Rot. Bonds92

About 8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-(2-aminoethyl)-N-[2-[2-(methylamino)ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-[2-(methylamino)ethylamino]ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-(methylamino)ethyl]-N-[2-[1-(3-triethoxysilylpropylcarbamoylamino)ethylamino]ethyl]octanamide

8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-(2-aminoethyl)-N-[2-[2-(methylamino)ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-[2-(methylamino)ethylamino]ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-(methylamino)ethyl]-N-[2-[1-(3-triethoxysilylpropylcarbamoylamino)ethylamino]ethyl]octanamide (PubChem CID 158928846) has the molecular formula C112H221N15O18Si3 and a molecular weight of 2150.34 g/mol. Its IUPAC name is 8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-(2-aminoethyl)-N-[2-[2-(methylamino)ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-[2-(methylamino)ethylamino]ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-(methylamino)ethyl]-N-[2-[1-(3-triethoxysilylpropylcarbamoylamino)ethylamino]ethyl]octanamide.

Molecular Properties

Compound Name8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-(2-aminoethyl)-N-[2-[2-(methylamino)ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-[2-(methylamino)ethylamino]ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-(methylamino)ethyl]-N-[2-[1-(3-triethoxysilylpropylcarbamoylamino)ethylamino]ethyl]octanamide
PubChem CID158928846
Molecular FormulaC112H221N15O18Si3
Molecular Weight2150.34 g/mol
Exact Mass2148.61
IUPAC Name8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-(2-aminoethyl)-N-[2-[2-(methylamino)ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-[2-(methylamino)ethylamino]ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-(methylamino)ethyl]-N-[2-[1-(3-triethoxysilylpropylcarbamoylamino)ethylamino]ethyl]octanamide
SMILESCCCCCCC1C=C(CCCCCCCC(=O)N(CCN)CCN(CCNC)C(=O)NCCC[Si](OCC)(OCC)OCC)CC(C(C)=O)C1.CCCCCCC1C=C(CCCCCCCC(=O)NCCN(CCNCCNC)C(=O)NCCC[Si](OCC)(OCC)OCC)CC(C(C)=O)C1.CCO[Si](CCCNC(=O)NC(C)NCCN(CCNC)C(=O)CCCCCCCC1=CC(C)CC(C(C)=O)C1)(OCC)OCC
InChIInChI=1S/2C39H77N5O6Si.C34H67N5O6Si/c1-7-11-12-16-20-35-31-36(33-37(32-35)34(5)45)21-17-14-13-15-18-22-38(46)43(26-23-40)28-29-44(27-25-41-6)39(47)42-24-19-30-51(48-8-2,49-9-3)50-10-4;1-7-11-12-16-20-35-31-36(33-37(32-35)34(5)45)21-17-14-13-15-18-22-38(46)42-27-29-44(28-26-41-25-24-40-6)39(47)43-23-19-30-51(48-8-2,49-9-3)50-10-4;1-8-43-46(44-9-2,45-10-3)24-16-19-37-34(42)38-30(6)36-21-23-39(22-20-35-7)33(41)18-15-13-11-12-14-17-31-25-28(4)26-32(27-31)29(5)40/h31,35,37,41H,7-30,32-33,40H2,1-6H3,(H,42,47);31,35,37,40-41H,7-30,32-33H2,1-6H3,(H,42,46)(H,43,47);25,28,30,32,35-36H,8-24,26-27H2,1-7H3,(H2,37,38,42)
InChIKeyJIUCMRFPPRQCMS-UHFFFAOYSA-N
XLogP18.29
TPSA395.98 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds92
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002150.34
LogP ≤ 518.29
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-(2-aminoethyl)-N-[2-[2-(methylamino)ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-[2-(methylamino)ethylamino]ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-(methylamino)ethyl]-N-[2-[1-(3-triethoxysilylpropylcarbamoylamino)ethylamino]ethyl]octanamide with MolForge

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Related Compounds

CID 59905343
CID 59905343
1-[1-[2-[2-(methylamino)ethyl-phosphanylamino]ethylamino]ethyl]-3-(3-triethoxysilylpropyl)urea
CID 22964415
N-[2-[2-(2-aminoethylamino)ethyl-docosanoylamino]ethyl]docosanamide
CID 21492333
N-[2-[2-aminoethyl(dodecanoyl)amino]ethyl]dodecanamide
CID 13255836
N-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide
CID 102064097
N-(3-triethoxysilylpropyl)hexanamide
CID 71321496
N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide
CID 90402751
1-[2-(methylamino)ethyl]-1-[2-(phosphanylamino)ethyl]-3-(3-triethoxysilylpropyl)urea;propan-2-one
CID 160690562
6-hydroxy-N-(3-triethoxysilylpropyl)undecanamide
CID 90014930
N-deuterio-N-(3-triethoxysilylpropyl)octadecanamide
CID 175949484
N-[2-[2-acetamidoethyl(hexadecanoyl)amino]ethyl]hexadecanamide
CID 3020501
N',N'-dioctadecyl-N-pentylhexanediamide
CID 174301276

Frequently Asked Questions

What is the IUPAC name of 8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-(2-aminoethyl)-N-[2-[2-(methylamino)ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-[2-(methylamino)ethylamino]ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-(methylamino)ethyl]-N-[2-[1-(3-triethoxysilylpropylcarbamoylamino)ethylamino]ethyl]octanamide?
The IUPAC name of 8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-(2-aminoethyl)-N-[2-[2-(methylamino)ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-[2-(methylamino)ethylamino]ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-(methylamino)ethyl]-N-[2-[1-(3-triethoxysilylpropylcarbamoylamino)ethylamino]ethyl]octanamide (CID 158928846) is 8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-(2-aminoethyl)-N-[2-[2-(methylamino)ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-[2-(methylamino)ethylamino]ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-(methylamino)ethyl]-N-[2-[1-(3-triethoxysilylpropylcarbamoylamino)ethylamino]ethyl]octanamide.
What is the SMILES notation for 8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-(2-aminoethyl)-N-[2-[2-(methylamino)ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-[2-(methylamino)ethylamino]ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-(methylamino)ethyl]-N-[2-[1-(3-triethoxysilylpropylcarbamoylamino)ethylamino]ethyl]octanamide?
The canonical SMILES for 8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-(2-aminoethyl)-N-[2-[2-(methylamino)ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-[2-(methylamino)ethylamino]ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-(methylamino)ethyl]-N-[2-[1-(3-triethoxysilylpropylcarbamoylamino)ethylamino]ethyl]octanamide is CCCCCCC1C=C(CCCCCCCC(=O)N(CCN)CCN(CCNC)C(=O)NCCC[Si](OCC)(OCC)OCC)CC(C(C)=O)C1.CCCCCCC1C=C(CCCCCCCC(=O)NCCN(CCNCCNC)C(=O)NCCC[Si](OCC)(OCC)OCC)CC(C(C)=O)C1.CCO[Si](CCCNC(=O)NC(C)NCCN(CCNC)C(=O)CCCCCCCC1=CC(C)CC(C(C)=O)C1)(OCC)OCC.
What is the InChIKey of 8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-(2-aminoethyl)-N-[2-[2-(methylamino)ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-[2-(methylamino)ethylamino]ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-(methylamino)ethyl]-N-[2-[1-(3-triethoxysilylpropylcarbamoylamino)ethylamino]ethyl]octanamide?
The InChIKey is JIUCMRFPPRQCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H77N5O6Si.C34H67N5O6Si/c1-7-11-12-16-20-35-31-36(33-37(32-35)34(5)45)21-17-14-13-15-18-22-38(46)43(26-23-40)28-29-44(27-25-41-6)39(47)42-24-19-30-51(48-8-2,49-9-3)50-10-4;1-7-11-12-16-20-35-31-36(33-37(32-35)34(5)45)21-17-14-13-15-18-22-38(46)42-27-29-44(28-26-41-25-24-40-6)39(47)43-23-19-30-51(48-8-2,49-9-3)50-10-4;1-8-43-46(44-9-2,45-10-3)24-16-19-37-34(42)38-30(6)36-21-23-39(22-20-35-7)33(41)18-15-13-11-12-14-17-31-25-28(4)26-32(27-31)29(5)40/h31,35,37,41H,7-30,32-33,40H2,1-6H3,(H,42,47);31,35,37,40-41H,7-30,32-33H2,1-6H3,(H,42,46)(H,43,47);25,28,30,32,35-36H,8-24,26-27H2,1-7H3,(H2,37,38,42).
What are the key properties of 8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-(2-aminoethyl)-N-[2-[2-(methylamino)ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-[2-(methylamino)ethylamino]ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-(methylamino)ethyl]-N-[2-[1-(3-triethoxysilylpropylcarbamoylamino)ethylamino]ethyl]octanamide?
8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-(2-aminoethyl)-N-[2-[2-(methylamino)ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-[2-(methylamino)ethylamino]ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-(methylamino)ethyl]-N-[2-[1-(3-triethoxysilylpropylcarbamoylamino)ethylamino]ethyl]octanamide has a molecular weight of 2150.34 g/mol, XLogP of 18.29, 92 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-(2-aminoethyl)-N-[2-[2-(methylamino)ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-[2-(methylamino)ethylamino]ethyl-(3-triethoxysilylpropylcarbamoyl)amino]ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-(methylamino)ethyl]-N-[2-[1-(3-triethoxysilylpropylcarbamoylamino)ethylamino]ethyl]octanamide is sourced from PubChem (CID 158928846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).