N-cyclohexyl-2-[18-[1-[cyclohexyl(propyl)amino]-3-methyl-1-oxobutan-2-yl]-11,14,22,26-tetrakis[4-(2-methyl-4-trimethoxysilylbutan-2-yl)phenoxy]-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]-3-methyl-N-propylbutanamide

C108H148N4O22Si4 — CID 166049059

About N-cyclohexyl-2-[18-[1-[cyclohexyl(propyl)amino]-3-methyl-1-oxobutan-2-yl]-11,14,22,26-tetrakis[4-(2-methyl-4-trimethoxysilylbutan-2-yl)phenoxy]-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]-3-methyl-N-propylbutanamide

N-cyclohexyl-2-[18-[1-[cyclohexyl(propyl)amino]-3-methyl-1-oxobutan-2-yl]-11,14,22,26-tetrakis[4-(2-methyl-4-trimethoxysilylbutan-2-yl)phenoxy]-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]-3-methyl-N-propylbutanamide (PubChem CID 166049059) has the molecular formula C108H148N4O22Si4 and a molecular weight of 1966.72 g/mol. Its IUPAC name is N-cyclohexyl-2-[18-[1-[cyclohexyl(propyl)amino]-3-methyl-1-oxobutan-2-yl]-11,14,22,26-tetrakis[4-(2-methyl-4-trimethoxysilylbutan-2-yl)phenoxy]-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]-3-methyl-N-propylbutanamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[18-[1-[cyclohexyl(propyl)amino]-3-methyl-1-oxobutan-2-yl]-11,14,22,26-tetrakis[4-(2-methyl-4-trimethoxysilylbutan-2-yl)phenoxy]-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]-3-methyl-N-propylbutanamide
• PubChem CID: 166049059
• Molecular Formula: C108H148N4O22Si4
• Molecular Weight: 1966.72 g/mol
• Exact Mass: 1964.97
• IUPAC Name: N-cyclohexyl-2-[18-[1-[cyclohexyl(propyl)amino]-3-methyl-1-oxobutan-2-yl]-11,14,22,26-tetrakis[4-(2-methyl-4-trimethoxysilylbutan-2-yl)phenoxy]-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]-3-methyl-N-propylbutanamide
• SMILES: CCCN(C(=O)C(C(C)C)N1C(=O)c2cc(Oc3ccc(C(C)(C)CC[Si](OC)(OC)OC)cc3)c3c4c(Oc5ccc(C(C)(C)CC[Si](OC)(OC)OC)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)CC[Si](OC)(OC)OC)cc7)c(c7c(Oc8ccc(C(C)(C)CC[Si](OC)(OC)OC)cc8)cc(c2c37)C1=O)c64)C(=O)N(C(C(=O)N(CCC)C1CCCCC1)C(C)C)C5=O)C1CCCCC1
• InChI: InChI=1S/C108H148N4O22Si4/c1-27-59-109(75-35-31-29-32-36-75)103(117)97(69(3)4)111-99(113)81-65-85(131-77-47-39-71(40-48-77)105(7,8)55-61-135(119-15,120-16)121-17)91-93-87(133-79-51-43-73(44-52-79)107(11,12)57-63-137(125-21,126-22)127-23)67-83-90-84(102(116)112(101(83)115)98(70(5)6)104(118)110(60-28-2)76-37-33-30-34-38-76)68-88(134-80-53-45-74(46-54-80)108(13,14)58-64-138(128-24,129-25)130-26)94(96(90)93)92-86(66-82(100(111)114)89(81)95(91)92)132-78-49-41-72(42-50-78)106(9,10)56-62-136(122-18,123-19)124-20/h39-54,65-70,75-76,97-98H,27-38,55-64H2,1-26H3
• InChIKey: SNPMZZXLTWMSOL-UHFFFAOYSA-N
• XLogP: 23.47
• TPSA: 263.06 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 48
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1966.72
LogP ≤ 5	23.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

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'}

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[18-[1-[cyclohexyl(propyl)amino]-3-methyl-1-oxobutan-2-yl]-11,14,22,26-tetrakis[4-(2-methyl-4-trimethoxysilylbutan-2-yl)phenoxy]-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]-3-methyl-N-propylbutanamide?

The IUPAC name of N-cyclohexyl-2-[18-[1-[cyclohexyl(propyl)amino]-3-methyl-1-oxobutan-2-yl]-11,14,22,26-tetrakis[4-(2-methyl-4-trimethoxysilylbutan-2-yl)phenoxy]-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]-3-methyl-N-propylbutanamide (CID 166049059) is N-cyclohexyl-2-[18-[1-[cyclohexyl(propyl)amino]-3-methyl-1-oxobutan-2-yl]-11,14,22,26-tetrakis[4-(2-methyl-4-trimethoxysilylbutan-2-yl)phenoxy]-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]-3-methyl-N-propylbutanamide.

What is the SMILES notation for N-cyclohexyl-2-[18-[1-[cyclohexyl(propyl)amino]-3-methyl-1-oxobutan-2-yl]-11,14,22,26-tetrakis[4-(2-methyl-4-trimethoxysilylbutan-2-yl)phenoxy]-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]-3-methyl-N-propylbutanamide?

The canonical SMILES for N-cyclohexyl-2-[18-[1-[cyclohexyl(propyl)amino]-3-methyl-1-oxobutan-2-yl]-11,14,22,26-tetrakis[4-(2-methyl-4-trimethoxysilylbutan-2-yl)phenoxy]-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]-3-methyl-N-propylbutanamide is CCCN(C(=O)C(C(C)C)N1C(=O)c2cc(Oc3ccc(C(C)(C)CC[Si](OC)(OC)OC)cc3)c3c4c(Oc5ccc(C(C)(C)CC[Si](OC)(OC)OC)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)CC[Si](OC)(OC)OC)cc7)c(c7c(Oc8ccc(C(C)(C)CC[Si](OC)(OC)OC)cc8)cc(c2c37)C1=O)c64)C(=O)N(C(C(=O)N(CCC)C1CCCCC1)C(C)C)C5=O)C1CCCCC1.

What is the InChIKey of N-cyclohexyl-2-[18-[1-[cyclohexyl(propyl)amino]-3-methyl-1-oxobutan-2-yl]-11,14,22,26-tetrakis[4-(2-methyl-4-trimethoxysilylbutan-2-yl)phenoxy]-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]-3-methyl-N-propylbutanamide?

The InChIKey is SNPMZZXLTWMSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H148N4O22Si4/c1-27-59-109(75-35-31-29-32-36-75)103(117)97(69(3)4)111-99(113)81-65-85(131-77-47-39-71(40-48-77)105(7,8)55-61-135(119-15,120-16)121-17)91-93-87(133-79-51-43-73(44-52-79)107(11,12)57-63-137(125-21,126-22)127-23)67-83-90-84(102(116)112(101(83)115)98(70(5)6)104(118)110(60-28-2)76-37-33-30-34-38-76)68-88(134-80-53-45-74(46-54-80)108(13,14)58-64-138(128-24,129-25)130-26)94(96(90)93)92-86(66-82(100(111)114)89(81)95(91)92)132-78-49-41-72(42-50-78)106(9,10)56-62-136(122-18,123-19)124-20/h39-54,65-70,75-76,97-98H,27-38,55-64H2,1-26H3.

What are the key properties of N-cyclohexyl-2-[18-[1-[cyclohexyl(propyl)amino]-3-methyl-1-oxobutan-2-yl]-11,14,22,26-tetrakis[4-(2-methyl-4-trimethoxysilylbutan-2-yl)phenoxy]-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]-3-methyl-N-propylbutanamide?

N-cyclohexyl-2-[18-[1-[cyclohexyl(propyl)amino]-3-methyl-1-oxobutan-2-yl]-11,14,22,26-tetrakis[4-(2-methyl-4-trimethoxysilylbutan-2-yl)phenoxy]-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]-3-methyl-N-propylbutanamide has a molecular weight of 1966.72 g/mol, XLogP of 23.47, 48 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[18-[1-[cyclohexyl(propyl)amino]-3-methyl-1-oxobutan-2-yl]-11,14,22,26-tetrakis[4-(2-methyl-4-trimethoxysilylbutan-2-yl)phenoxy]-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]-3-methyl-N-propylbutanamide is sourced from PubChem (CID 166049059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).