2-cyclohexyl-2-[18-[1-cyclohexyl-2-[methyl-[4-(trimethoxysilylmethyl)-2-pyridinyl]amino]-2-oxoethyl]-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-methyl-N-[4-(trimethoxysilylmethyl)-2-pyridinyl]acetamide

C100H114N6O16Si2 — CID 166049927

IUPAC2-cyclohexyl-2-[18-[1-cyclohexyl-2-[methyl-[4-(trimethoxysilylmethyl)-2-pyridinyl]amino]-2-oxoethyl]-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-methyl-N-[4-(trimethoxysilylmethyl)-2-pyridinyl]acetamide
SMILESCO[Si](Cc1ccnc(N(C)C(=O)C(C2CCCCC2)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(C(=O)N(C)c2cc(C[Si](OC)(OC)OC)ccn2)C2CCCCC2)C6=O)c1)(OC)OC
InChIInChI=1S/C100H114N6O16Si2/c1-55(2)67-31-35-75(59(9)43-67)119-79-49-71-85-72(96(108)105(95(71)107)93(65-27-23-21-24-28-65)99(111)103(13)83-47-63(39-41-101-83)53-123(113-15,114-16)115-17)51-81(121-77-37-33-69(57(5)6)45-61(77)11)89-90-82(122-78-38-34-70(58(7)8)46-62(78)12)52-74-86-73(50-80(88(92(86)90)87(79)91(85)89)120-76-36-32-68(56(3)4)44-60(76)10)97(109)106(98(74)110)94(66-29-25-22-26-30-66)100(112)104(14)84-48-64(40-42-102-84)54-124(116-18,117-19)118-20/h31-52,55-58,65-66,93-94H,21-30,53-54H2,1-20H3
InChIKeyPLSNZSBGRHBSRQ-UHFFFAOYSA-N
MW1712.21 g/mol
LogP21.76
Rot. Bonds30

About 2-cyclohexyl-2-[18-[1-cyclohexyl-2-[methyl-[4-(trimethoxysilylmethyl)-2-pyridinyl]amino]-2-oxoethyl]-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-methyl-N-[4-(trimethoxysilylmethyl)-2-pyridinyl]acetamide

2-cyclohexyl-2-[18-[1-cyclohexyl-2-[methyl-[4-(trimethoxysilylmethyl)-2-pyridinyl]amino]-2-oxoethyl]-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-methyl-N-[4-(trimethoxysilylmethyl)-2-pyridinyl]acetamide (PubChem CID 166049927) has the molecular formula C100H114N6O16Si2 and a molecular weight of 1712.21 g/mol. Its IUPAC name is 2-cyclohexyl-2-[18-[1-cyclohexyl-2-[methyl-[4-(trimethoxysilylmethyl)-2-pyridinyl]amino]-2-oxoethyl]-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-methyl-N-[4-(trimethoxysilylmethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-2-[18-[1-cyclohexyl-2-[methyl-[4-(trimethoxysilylmethyl)-2-pyridinyl]amino]-2-oxoethyl]-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-methyl-N-[4-(trimethoxysilylmethyl)-2-pyridinyl]acetamide
PubChem CID166049927
Molecular FormulaC100H114N6O16Si2
Molecular Weight1712.21 g/mol
Exact Mass1710.78
IUPAC Name2-cyclohexyl-2-[18-[1-cyclohexyl-2-[methyl-[4-(trimethoxysilylmethyl)-2-pyridinyl]amino]-2-oxoethyl]-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-methyl-N-[4-(trimethoxysilylmethyl)-2-pyridinyl]acetamide
SMILESCO[Si](Cc1ccnc(N(C)C(=O)C(C2CCCCC2)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(C(=O)N(C)c2cc(C[Si](OC)(OC)OC)ccn2)C2CCCCC2)C6=O)c1)(OC)OC
InChIInChI=1S/C100H114N6O16Si2/c1-55(2)67-31-35-75(59(9)43-67)119-79-49-71-85-72(96(108)105(95(71)107)93(65-27-23-21-24-28-65)99(111)103(13)83-47-63(39-41-101-83)53-123(113-15,114-16)115-17)51-81(121-77-37-33-69(57(5)6)45-61(77)11)89-90-82(122-78-38-34-70(58(7)8)46-62(78)12)52-74-86-73(50-80(88(92(86)90)87(79)91(85)89)120-76-36-32-68(56(3)4)44-60(76)10)97(109)106(98(74)110)94(66-29-25-22-26-30-66)100(112)104(14)84-48-64(40-42-102-84)54-124(116-18,117-19)118-20/h31-52,55-58,65-66,93-94H,21-30,53-54H2,1-20H3
InChIKeyPLSNZSBGRHBSRQ-UHFFFAOYSA-N
XLogP21.76
TPSA233.46 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001712.21
LogP ≤ 521.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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 2-cyclohexyl-2-[18-[1-cyclohexyl-2-[methyl-[4-(trimethoxysilylmethyl)-2-pyridinyl]amino]-2-oxoethyl]-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-methyl-N-[4-(trimethoxysilylmethyl)-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[18-[1-cyclohexyl-2-[methyl-[4-(trimethoxysilylmethyl)-2-pyridinyl]amino]-2-oxoethyl]-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-methyl-N-[4-(trimethoxysilylmethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-cyclohexyl-2-[18-[1-cyclohexyl-2-[methyl-[4-(trimethoxysilylmethyl)-2-pyridinyl]amino]-2-oxoethyl]-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-methyl-N-[4-(trimethoxysilylmethyl)-2-pyridinyl]acetamide (CID 166049927) is 2-cyclohexyl-2-[18-[1-cyclohexyl-2-[methyl-[4-(trimethoxysilylmethyl)-2-pyridinyl]amino]-2-oxoethyl]-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-methyl-N-[4-(trimethoxysilylmethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-2-[18-[1-cyclohexyl-2-[methyl-[4-(trimethoxysilylmethyl)-2-pyridinyl]amino]-2-oxoethyl]-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-methyl-N-[4-(trimethoxysilylmethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-cyclohexyl-2-[18-[1-cyclohexyl-2-[methyl-[4-(trimethoxysilylmethyl)-2-pyridinyl]amino]-2-oxoethyl]-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-methyl-N-[4-(trimethoxysilylmethyl)-2-pyridinyl]acetamide is CO[Si](Cc1ccnc(N(C)C(=O)C(C2CCCCC2)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(C(=O)N(C)c2cc(C[Si](OC)(OC)OC)ccn2)C2CCCCC2)C6=O)c1)(OC)OC.
What is the InChIKey of 2-cyclohexyl-2-[18-[1-cyclohexyl-2-[methyl-[4-(trimethoxysilylmethyl)-2-pyridinyl]amino]-2-oxoethyl]-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-methyl-N-[4-(trimethoxysilylmethyl)-2-pyridinyl]acetamide?
The InChIKey is PLSNZSBGRHBSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H114N6O16Si2/c1-55(2)67-31-35-75(59(9)43-67)119-79-49-71-85-72(96(108)105(95(71)107)93(65-27-23-21-24-28-65)99(111)103(13)83-47-63(39-41-101-83)53-123(113-15,114-16)115-17)51-81(121-77-37-33-69(57(5)6)45-61(77)11)89-90-82(122-78-38-34-70(58(7)8)46-62(78)12)52-74-86-73(50-80(88(92(86)90)87(79)91(85)89)120-76-36-32-68(56(3)4)44-60(76)10)97(109)106(98(74)110)94(66-29-25-22-26-30-66)100(112)104(14)84-48-64(40-42-102-84)54-124(116-18,117-19)118-20/h31-52,55-58,65-66,93-94H,21-30,53-54H2,1-20H3.
What are the key properties of 2-cyclohexyl-2-[18-[1-cyclohexyl-2-[methyl-[4-(trimethoxysilylmethyl)-2-pyridinyl]amino]-2-oxoethyl]-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-methyl-N-[4-(trimethoxysilylmethyl)-2-pyridinyl]acetamide?
2-cyclohexyl-2-[18-[1-cyclohexyl-2-[methyl-[4-(trimethoxysilylmethyl)-2-pyridinyl]amino]-2-oxoethyl]-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-methyl-N-[4-(trimethoxysilylmethyl)-2-pyridinyl]acetamide has a molecular weight of 1712.21 g/mol, XLogP of 21.76, 30 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[18-[1-cyclohexyl-2-[methyl-[4-(trimethoxysilylmethyl)-2-pyridinyl]amino]-2-oxoethyl]-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-methyl-N-[4-(trimethoxysilylmethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 166049927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).