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

C69H136N10O10Si2 — CID 123321392

IUPAC8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-(methylamino)ethylamino]ethyl]-N-[2-(3-triethoxysilylpropylcarbamoylamino)ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-[1-aminoethyl(3-ethoxysilylpropylcarbamoyl)amino]ethyl]-N-[2-(methylamino)ethyl]octanamide
SMILESCCCCCCC1C=C(CCCCCCCC(=O)N(CCNCCNC)CCNC(=O)NCCC[Si](OCC)(OCC)OCC)CC(C(C)=O)C1.CCO[SiH2]CCCNC(=O)N(CCN(CCNC)C(=O)CCCCCCCC1=CC(C)CC(C(C)=O)C1)C(C)N
InChIInChI=1S/C39H77N5O6Si.C30H59N5O4Si/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)44(28-26-41-25-24-40-6)29-27-43-39(47)42-23-19-30-51(48-8-2,49-9-3)50-10-4;1-6-39-40-20-12-15-33-30(38)35(26(4)31)19-18-34(17-16-32-5)29(37)14-11-9-7-8-10-13-27-21-24(2)22-28(23-27)25(3)36/h31,35,37,40-41H,7-30,32-33H2,1-6H3,(H2,42,43,47);21,24,26,28,32H,6-20,22-23,31,40H2,1-5H3,(H,33,38)
InChIKeyANPUQFWYSSXGAJ-UHFFFAOYSA-N
MW1322.08 g/mol
LogP10.18
Rot. Bonds55

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

8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-(methylamino)ethylamino]ethyl]-N-[2-(3-triethoxysilylpropylcarbamoylamino)ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-[1-aminoethyl(3-ethoxysilylpropylcarbamoyl)amino]ethyl]-N-[2-(methylamino)ethyl]octanamide (PubChem CID 123321392) has the molecular formula C69H136N10O10Si2 and a molecular weight of 1322.08 g/mol. Its IUPAC name is 8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-(methylamino)ethylamino]ethyl]-N-[2-(3-triethoxysilylpropylcarbamoylamino)ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-[1-aminoethyl(3-ethoxysilylpropylcarbamoyl)amino]ethyl]-N-[2-(methylamino)ethyl]octanamide.

Molecular Properties

Compound Name8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-(methylamino)ethylamino]ethyl]-N-[2-(3-triethoxysilylpropylcarbamoylamino)ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-[1-aminoethyl(3-ethoxysilylpropylcarbamoyl)amino]ethyl]-N-[2-(methylamino)ethyl]octanamide
PubChem CID123321392
Molecular FormulaC69H136N10O10Si2
Molecular Weight1322.08 g/mol
Exact Mass1321.00
IUPAC Name8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-(methylamino)ethylamino]ethyl]-N-[2-(3-triethoxysilylpropylcarbamoylamino)ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-[1-aminoethyl(3-ethoxysilylpropylcarbamoyl)amino]ethyl]-N-[2-(methylamino)ethyl]octanamide
SMILESCCCCCCC1C=C(CCCCCCCC(=O)N(CCNCCNC)CCNC(=O)NCCC[Si](OCC)(OCC)OCC)CC(C(C)=O)C1.CCO[SiH2]CCCNC(=O)N(CCN(CCNC)C(=O)CCCCCCCC1=CC(C)CC(C(C)=O)C1)C(C)N
InChIInChI=1S/C39H77N5O6Si.C30H59N5O4Si/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)44(28-26-41-25-24-40-6)29-27-43-39(47)42-23-19-30-51(48-8-2,49-9-3)50-10-4;1-6-39-40-20-12-15-33-30(38)35(26(4)31)19-18-34(17-16-32-5)29(37)14-11-9-7-8-10-13-27-21-24(2)22-28(23-27)25(3)36/h31,35,37,40-41H,7-30,32-33H2,1-6H3,(H2,42,43,47);21,24,26,28,32H,6-20,22-23,31,40H2,1-5H3,(H,33,38)
InChIKeyANPUQFWYSSXGAJ-UHFFFAOYSA-N
XLogP10.18
TPSA247.26 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds55
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001322.08
LogP ≤ 510.18
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

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

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Frequently Asked Questions

What is the IUPAC name of 8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-(methylamino)ethylamino]ethyl]-N-[2-(3-triethoxysilylpropylcarbamoylamino)ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-[1-aminoethyl(3-ethoxysilylpropylcarbamoyl)amino]ethyl]-N-[2-(methylamino)ethyl]octanamide?
The IUPAC name of 8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-(methylamino)ethylamino]ethyl]-N-[2-(3-triethoxysilylpropylcarbamoylamino)ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-[1-aminoethyl(3-ethoxysilylpropylcarbamoyl)amino]ethyl]-N-[2-(methylamino)ethyl]octanamide (CID 123321392) is 8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-(methylamino)ethylamino]ethyl]-N-[2-(3-triethoxysilylpropylcarbamoylamino)ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-[1-aminoethyl(3-ethoxysilylpropylcarbamoyl)amino]ethyl]-N-[2-(methylamino)ethyl]octanamide.
What is the SMILES notation for 8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-(methylamino)ethylamino]ethyl]-N-[2-(3-triethoxysilylpropylcarbamoylamino)ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-[1-aminoethyl(3-ethoxysilylpropylcarbamoyl)amino]ethyl]-N-[2-(methylamino)ethyl]octanamide?
The canonical SMILES for 8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-(methylamino)ethylamino]ethyl]-N-[2-(3-triethoxysilylpropylcarbamoylamino)ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-[1-aminoethyl(3-ethoxysilylpropylcarbamoyl)amino]ethyl]-N-[2-(methylamino)ethyl]octanamide is CCCCCCC1C=C(CCCCCCCC(=O)N(CCNCCNC)CCNC(=O)NCCC[Si](OCC)(OCC)OCC)CC(C(C)=O)C1.CCO[SiH2]CCCNC(=O)N(CCN(CCNC)C(=O)CCCCCCCC1=CC(C)CC(C(C)=O)C1)C(C)N.
What is the InChIKey of 8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-(methylamino)ethylamino]ethyl]-N-[2-(3-triethoxysilylpropylcarbamoylamino)ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-[1-aminoethyl(3-ethoxysilylpropylcarbamoyl)amino]ethyl]-N-[2-(methylamino)ethyl]octanamide?
The InChIKey is ANPUQFWYSSXGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H77N5O6Si.C30H59N5O4Si/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)44(28-26-41-25-24-40-6)29-27-43-39(47)42-23-19-30-51(48-8-2,49-9-3)50-10-4;1-6-39-40-20-12-15-33-30(38)35(26(4)31)19-18-34(17-16-32-5)29(37)14-11-9-7-8-10-13-27-21-24(2)22-28(23-27)25(3)36/h31,35,37,40-41H,7-30,32-33H2,1-6H3,(H2,42,43,47);21,24,26,28,32H,6-20,22-23,31,40H2,1-5H3,(H,33,38).
What are the key properties of 8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-(methylamino)ethylamino]ethyl]-N-[2-(3-triethoxysilylpropylcarbamoylamino)ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-[1-aminoethyl(3-ethoxysilylpropylcarbamoyl)amino]ethyl]-N-[2-(methylamino)ethyl]octanamide?
8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-(methylamino)ethylamino]ethyl]-N-[2-(3-triethoxysilylpropylcarbamoylamino)ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-[1-aminoethyl(3-ethoxysilylpropylcarbamoyl)amino]ethyl]-N-[2-(methylamino)ethyl]octanamide has a molecular weight of 1322.08 g/mol, XLogP of 10.18, 55 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-acetyl-3-hexylcyclohexen-1-yl)-N-[2-[2-(methylamino)ethylamino]ethyl]-N-[2-(3-triethoxysilylpropylcarbamoylamino)ethyl]octanamide;8-(5-acetyl-3-methylcyclohexen-1-yl)-N-[2-[1-aminoethyl(3-ethoxysilylpropylcarbamoyl)amino]ethyl]-N-[2-(methylamino)ethyl]octanamide is sourced from PubChem (CID 123321392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).