3-cyclohexyl-2-[18-[3-cyclohexyl-1-[methoxymethyl-[3-(trimethoxysilylmethyl)cyclohexyl]amino]-1-oxopropan-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-(methoxymethyl)-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide

C106H136N4O18Si2 — CID 166050091

IUPAC3-cyclohexyl-2-[18-[3-cyclohexyl-1-[methoxymethyl-[3-(trimethoxysilylmethyl)cyclohexyl]amino]-1-oxopropan-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-(methoxymethyl)-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide
SMILESCOCN(C(=O)C(CC1CCCCC1)N1C(=O)c2cc(Oc3ccc(C(C)C)cc3C)c3c4c(Oc5ccc(C(C)C)cc5C)cc5c6c(cc(Oc7ccc(C(C)C)cc7C)c(c7c(Oc8ccc(C(C)C)cc8C)cc(c2c37)C1=O)c64)C(=O)N(C(CC1CCCCC1)C(=O)N(COC)C1CCCC(C[Si](OC)(OC)OC)C1)C5=O)C1CCCC(C[Si](OC)(OC)OC)C1
InChIInChI=1S/C106H136N4O18Si2/c1-61(2)73-37-41-85(65(9)45-73)125-89-53-79-93-80(102(112)109(101(79)111)83(51-69-29-23-21-24-30-69)105(115)107(59-117-13)77-35-27-33-71(49-77)57-129(119-15,120-16)121-17)55-91(127-87-43-39-75(63(5)6)47-67(87)11)97-98-92(128-88-44-40-76(64(7)8)48-68(88)12)56-82-94-81(54-90(96(100(94)98)95(89)99(93)97)126-86-42-38-74(62(3)4)46-66(86)10)103(113)110(104(82)114)84(52-70-31-25-22-26-32-70)106(116)108(60-118-14)78-36-28-34-72(50-78)58-130(122-18,123-19)124-20/h37-48,53-56,61-64,69-72,77-78,83-84H,21-36,49-52,57-60H2,1-20H3
InChIKeyQGGYSJUWVMLSBK-UHFFFAOYSA-N
MW1810.44 g/mol
LogP24.24
Rot. Bonds36

About 3-cyclohexyl-2-[18-[3-cyclohexyl-1-[methoxymethyl-[3-(trimethoxysilylmethyl)cyclohexyl]amino]-1-oxopropan-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-(methoxymethyl)-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide

3-cyclohexyl-2-[18-[3-cyclohexyl-1-[methoxymethyl-[3-(trimethoxysilylmethyl)cyclohexyl]amino]-1-oxopropan-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-(methoxymethyl)-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide (PubChem CID 166050091) has the molecular formula C106H136N4O18Si2 and a molecular weight of 1810.44 g/mol. Its IUPAC name is 3-cyclohexyl-2-[18-[3-cyclohexyl-1-[methoxymethyl-[3-(trimethoxysilylmethyl)cyclohexyl]amino]-1-oxopropan-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-(methoxymethyl)-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-2-[18-[3-cyclohexyl-1-[methoxymethyl-[3-(trimethoxysilylmethyl)cyclohexyl]amino]-1-oxopropan-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-(methoxymethyl)-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide
PubChem CID166050091
Molecular FormulaC106H136N4O18Si2
Molecular Weight1810.44 g/mol
Exact Mass1808.94
IUPAC Name3-cyclohexyl-2-[18-[3-cyclohexyl-1-[methoxymethyl-[3-(trimethoxysilylmethyl)cyclohexyl]amino]-1-oxopropan-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-(methoxymethyl)-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide
SMILESCOCN(C(=O)C(CC1CCCCC1)N1C(=O)c2cc(Oc3ccc(C(C)C)cc3C)c3c4c(Oc5ccc(C(C)C)cc5C)cc5c6c(cc(Oc7ccc(C(C)C)cc7C)c(c7c(Oc8ccc(C(C)C)cc8C)cc(c2c37)C1=O)c64)C(=O)N(C(CC1CCCCC1)C(=O)N(COC)C1CCCC(C[Si](OC)(OC)OC)C1)C5=O)C1CCCC(C[Si](OC)(OC)OC)C1
InChIInChI=1S/C106H136N4O18Si2/c1-61(2)73-37-41-85(65(9)45-73)125-89-53-79-93-80(102(112)109(101(79)111)83(51-69-29-23-21-24-30-69)105(115)107(59-117-13)77-35-27-33-71(49-77)57-129(119-15,120-16)121-17)55-91(127-87-43-39-75(63(5)6)47-67(87)11)97-98-92(128-88-44-40-76(64(7)8)48-68(88)12)56-82-94-81(54-90(96(100(94)98)95(89)99(93)97)126-86-42-38-74(62(3)4)46-66(86)10)103(113)110(104(82)114)84(52-70-31-25-22-26-32-70)106(116)108(60-118-14)78-36-28-34-72(50-78)58-130(122-18,123-19)124-20/h37-48,53-56,61-64,69-72,77-78,83-84H,21-36,49-52,57-60H2,1-20H3
InChIKeyQGGYSJUWVMLSBK-UHFFFAOYSA-N
XLogP24.24
TPSA226.14 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds36
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001810.44
LogP ≤ 524.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-[methoxymethyl-[3-(trimethoxysilylmethyl)cyclohexyl]amino]-1-oxopropan-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-(methoxymethyl)-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-[methoxymethyl-[3-(trimethoxysilylmethyl)cyclohexyl]amino]-1-oxopropan-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-(methoxymethyl)-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide?
The IUPAC name of 3-cyclohexyl-2-[18-[3-cyclohexyl-1-[methoxymethyl-[3-(trimethoxysilylmethyl)cyclohexyl]amino]-1-oxopropan-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-(methoxymethyl)-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide (CID 166050091) is 3-cyclohexyl-2-[18-[3-cyclohexyl-1-[methoxymethyl-[3-(trimethoxysilylmethyl)cyclohexyl]amino]-1-oxopropan-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-(methoxymethyl)-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-2-[18-[3-cyclohexyl-1-[methoxymethyl-[3-(trimethoxysilylmethyl)cyclohexyl]amino]-1-oxopropan-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-(methoxymethyl)-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide?
The canonical SMILES for 3-cyclohexyl-2-[18-[3-cyclohexyl-1-[methoxymethyl-[3-(trimethoxysilylmethyl)cyclohexyl]amino]-1-oxopropan-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-(methoxymethyl)-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide is COCN(C(=O)C(CC1CCCCC1)N1C(=O)c2cc(Oc3ccc(C(C)C)cc3C)c3c4c(Oc5ccc(C(C)C)cc5C)cc5c6c(cc(Oc7ccc(C(C)C)cc7C)c(c7c(Oc8ccc(C(C)C)cc8C)cc(c2c37)C1=O)c64)C(=O)N(C(CC1CCCCC1)C(=O)N(COC)C1CCCC(C[Si](OC)(OC)OC)C1)C5=O)C1CCCC(C[Si](OC)(OC)OC)C1.
What is the InChIKey of 3-cyclohexyl-2-[18-[3-cyclohexyl-1-[methoxymethyl-[3-(trimethoxysilylmethyl)cyclohexyl]amino]-1-oxopropan-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-(methoxymethyl)-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide?
The InChIKey is QGGYSJUWVMLSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H136N4O18Si2/c1-61(2)73-37-41-85(65(9)45-73)125-89-53-79-93-80(102(112)109(101(79)111)83(51-69-29-23-21-24-30-69)105(115)107(59-117-13)77-35-27-33-71(49-77)57-129(119-15,120-16)121-17)55-91(127-87-43-39-75(63(5)6)47-67(87)11)97-98-92(128-88-44-40-76(64(7)8)48-68(88)12)56-82-94-81(54-90(96(100(94)98)95(89)99(93)97)126-86-42-38-74(62(3)4)46-66(86)10)103(113)110(104(82)114)84(52-70-31-25-22-26-32-70)106(116)108(60-118-14)78-36-28-34-72(50-78)58-130(122-18,123-19)124-20/h37-48,53-56,61-64,69-72,77-78,83-84H,21-36,49-52,57-60H2,1-20H3.
What are the key properties of 3-cyclohexyl-2-[18-[3-cyclohexyl-1-[methoxymethyl-[3-(trimethoxysilylmethyl)cyclohexyl]amino]-1-oxopropan-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-(methoxymethyl)-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide?
3-cyclohexyl-2-[18-[3-cyclohexyl-1-[methoxymethyl-[3-(trimethoxysilylmethyl)cyclohexyl]amino]-1-oxopropan-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-(methoxymethyl)-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide has a molecular weight of 1810.44 g/mol, XLogP of 24.24, 36 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-[18-[3-cyclohexyl-1-[methoxymethyl-[3-(trimethoxysilylmethyl)cyclohexyl]amino]-1-oxopropan-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-(methoxymethyl)-N-[3-(trimethoxysilylmethyl)cyclohexyl]propanamide is sourced from PubChem (CID 166050091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).