3-cyclohexyl-2-[18-[3-cyclohexyl-1-oxo-1-[[3-(trimethoxysilylmethyl)cyclohexyl]amino]propan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide

C102H128N4O16Si2 — CID 166049979

IUPAC3-cyclohexyl-2-[18-[3-cyclohexyl-1-oxo-1-[[3-(trimethoxysilylmethyl)cyclohexyl]amino]propan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide
SMILESCO[Si](CC1CCCC(NC(=O)C(CC2CCCCC2)N2C(=O)c3cc(Oc4ccc(C(C)C)cc4C)c4c5c(Oc6ccc(C(C)C)cc6C)cc6c7c(cc(Oc8ccc(C(C)C)cc8C)c(c8c(Oc9ccc(C(C)C)cc9C)cc(c3c48)C2=O)c75)C(=O)N(C(CC2CCCCC2)C(=O)NC2CCCC(C[Si](OC)(OC)OC)C2)C6=O)C1)(OC)OC
InChIInChI=1S/C102H128N4O16Si2/c1-57(2)69-35-39-81(61(9)43-69)119-85-51-75-89-76(100(110)105(99(75)109)79(49-65-27-21-19-22-28-65)97(107)103-73-33-25-31-67(47-73)55-123(113-13,114-14)115-15)53-87(121-83-41-37-71(59(5)6)45-63(83)11)93-94-88(122-84-42-38-72(60(7)8)46-64(84)12)54-78-90-77(52-86(92(96(90)94)91(85)95(89)93)120-82-40-36-70(58(3)4)44-62(82)10)101(111)106(102(78)112)80(50-66-29-23-20-24-30-66)98(108)104-74-34-26-32-68(48-74)56-124(116-16,117-17)118-18/h35-46,51-54,57-60,65-68,73-74,79-80H,19-34,47-50,55-56H2,1-18H3,(H,103,107)(H,104,108)
InChIKeyWEIYAVJSHMYGBZ-UHFFFAOYSA-N
MW1722.33 g/mol
LogP23.61
Rot. Bonds32

About 3-cyclohexyl-2-[18-[3-cyclohexyl-1-oxo-1-[[3-(trimethoxysilylmethyl)cyclohexyl]amino]propan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide

3-cyclohexyl-2-[18-[3-cyclohexyl-1-oxo-1-[[3-(trimethoxysilylmethyl)cyclohexyl]amino]propan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide (PubChem CID 166049979) has the molecular formula C102H128N4O16Si2 and a molecular weight of 1722.33 g/mol. Its IUPAC name is 3-cyclohexyl-2-[18-[3-cyclohexyl-1-oxo-1-[[3-(trimethoxysilylmethyl)cyclohexyl]amino]propan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-2-[18-[3-cyclohexyl-1-oxo-1-[[3-(trimethoxysilylmethyl)cyclohexyl]amino]propan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide
PubChem CID166049979
Molecular FormulaC102H128N4O16Si2
Molecular Weight1722.33 g/mol
Exact Mass1720.89
IUPAC Name3-cyclohexyl-2-[18-[3-cyclohexyl-1-oxo-1-[[3-(trimethoxysilylmethyl)cyclohexyl]amino]propan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide
SMILESCO[Si](CC1CCCC(NC(=O)C(CC2CCCCC2)N2C(=O)c3cc(Oc4ccc(C(C)C)cc4C)c4c5c(Oc6ccc(C(C)C)cc6C)cc6c7c(cc(Oc8ccc(C(C)C)cc8C)c(c8c(Oc9ccc(C(C)C)cc9C)cc(c3c48)C2=O)c75)C(=O)N(C(CC2CCCCC2)C(=O)NC2CCCC(C[Si](OC)(OC)OC)C2)C6=O)C1)(OC)OC
InChIInChI=1S/C102H128N4O16Si2/c1-57(2)69-35-39-81(61(9)43-69)119-85-51-75-89-76(100(110)105(99(75)109)79(49-65-27-21-19-22-28-65)97(107)103-73-33-25-31-67(47-73)55-123(113-13,114-14)115-15)53-87(121-83-41-37-71(59(5)6)45-63(83)11)93-94-88(122-84-42-38-72(60(7)8)46-64(84)12)54-78-90-77(52-86(92(96(90)94)91(85)95(89)93)120-82-40-36-70(58(3)4)44-62(82)10)101(111)106(102(78)112)80(50-66-29-23-20-24-30-66)98(108)104-74-34-26-32-68(48-74)56-124(116-16,117-17)118-18/h35-46,51-54,57-60,65-68,73-74,79-80H,19-34,47-50,55-56H2,1-18H3,(H,103,107)(H,104,108)
InChIKeyWEIYAVJSHMYGBZ-UHFFFAOYSA-N
XLogP23.61
TPSA225.26 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds32
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001722.33
LogP ≤ 523.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-cyclohexyl-2-[18-[3-cyclohexyl-1-oxo-1-[[3-(trimethoxysilylmethyl)cyclohexyl]amino]propan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-[18-[3-cyclohexyl-1-oxo-1-[[3-(trimethoxysilylmethyl)cyclohexyl]amino]propan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide?
The IUPAC name of 3-cyclohexyl-2-[18-[3-cyclohexyl-1-oxo-1-[[3-(trimethoxysilylmethyl)cyclohexyl]amino]propan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide (CID 166049979) is 3-cyclohexyl-2-[18-[3-cyclohexyl-1-oxo-1-[[3-(trimethoxysilylmethyl)cyclohexyl]amino]propan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-2-[18-[3-cyclohexyl-1-oxo-1-[[3-(trimethoxysilylmethyl)cyclohexyl]amino]propan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide?
The canonical SMILES for 3-cyclohexyl-2-[18-[3-cyclohexyl-1-oxo-1-[[3-(trimethoxysilylmethyl)cyclohexyl]amino]propan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide is CO[Si](CC1CCCC(NC(=O)C(CC2CCCCC2)N2C(=O)c3cc(Oc4ccc(C(C)C)cc4C)c4c5c(Oc6ccc(C(C)C)cc6C)cc6c7c(cc(Oc8ccc(C(C)C)cc8C)c(c8c(Oc9ccc(C(C)C)cc9C)cc(c3c48)C2=O)c75)C(=O)N(C(CC2CCCCC2)C(=O)NC2CCCC(C[Si](OC)(OC)OC)C2)C6=O)C1)(OC)OC.
What is the InChIKey of 3-cyclohexyl-2-[18-[3-cyclohexyl-1-oxo-1-[[3-(trimethoxysilylmethyl)cyclohexyl]amino]propan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide?
The InChIKey is WEIYAVJSHMYGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H128N4O16Si2/c1-57(2)69-35-39-81(61(9)43-69)119-85-51-75-89-76(100(110)105(99(75)109)79(49-65-27-21-19-22-28-65)97(107)103-73-33-25-31-67(47-73)55-123(113-13,114-14)115-15)53-87(121-83-41-37-71(59(5)6)45-63(83)11)93-94-88(122-84-42-38-72(60(7)8)46-64(84)12)54-78-90-77(52-86(92(96(90)94)91(85)95(89)93)120-82-40-36-70(58(3)4)44-62(82)10)101(111)106(102(78)112)80(50-66-29-23-20-24-30-66)98(108)104-74-34-26-32-68(48-74)56-124(116-16,117-17)118-18/h35-46,51-54,57-60,65-68,73-74,79-80H,19-34,47-50,55-56H2,1-18H3,(H,103,107)(H,104,108).
What are the key properties of 3-cyclohexyl-2-[18-[3-cyclohexyl-1-oxo-1-[[3-(trimethoxysilylmethyl)cyclohexyl]amino]propan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide?
3-cyclohexyl-2-[18-[3-cyclohexyl-1-oxo-1-[[3-(trimethoxysilylmethyl)cyclohexyl]amino]propan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide has a molecular weight of 1722.33 g/mol, XLogP of 23.61, 32 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-[18-[3-cyclohexyl-1-oxo-1-[[3-(trimethoxysilylmethyl)cyclohexyl]amino]propan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide is sourced from PubChem (CID 166049979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).