15-(methoxymethyl)-20,24-dimethyl-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one

C35H52N8O3Si — CID 140768444

IUPAC15-(methoxymethyl)-20,24-dimethyl-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one
SMILESCOCC1CN2CCN1Cc1cccc(c1)N(COCC[Si](C)(C)C)c1nccc(n1)-c1ccc(nc1)N(C)CCCN(C)C(=O)C2
InChIInChI=1S/C35H52N8O3Si/c1-39-15-8-16-40(2)34(44)25-41-17-18-42(31(24-41)26-45-3)23-28-9-7-10-30(21-28)43(27-46-19-20-47(4,5)6)35-36-14-13-32(38-35)29-11-12-33(39)37-22-29/h7,9-14,21-22,31H,8,15-20,23-27H2,1-6H3
InChIKeyCBHUHBAAMIQDGR-UHFFFAOYSA-N
MW660.94 g/mol
LogP4.42
Rot. Bonds7

About 15-(methoxymethyl)-20,24-dimethyl-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one

15-(methoxymethyl)-20,24-dimethyl-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one (PubChem CID 140768444) has the molecular formula C35H52N8O3Si and a molecular weight of 660.94 g/mol. Its IUPAC name is 15-(methoxymethyl)-20,24-dimethyl-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one.

Molecular Properties

Compound Name15-(methoxymethyl)-20,24-dimethyl-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one
PubChem CID140768444
Molecular FormulaC35H52N8O3Si
Molecular Weight660.94 g/mol
Exact Mass660.39
IUPAC Name15-(methoxymethyl)-20,24-dimethyl-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one
SMILESCOCC1CN2CCN1Cc1cccc(c1)N(COCC[Si](C)(C)C)c1nccc(n1)-c1ccc(nc1)N(C)CCCN(C)C(=O)C2
InChIInChI=1S/C35H52N8O3Si/c1-39-15-8-16-40(2)34(44)25-41-17-18-42(31(24-41)26-45-3)23-28-9-7-10-30(21-28)43(27-46-19-20-47(4,5)6)35-36-14-13-32(38-35)29-11-12-33(39)37-22-29/h7,9-14,21-22,31H,8,15-20,23-27H2,1-6H3
InChIKeyCBHUHBAAMIQDGR-UHFFFAOYSA-N
XLogP4.42
TPSA90.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500660.94
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 15-(methoxymethyl)-20,24-dimethyl-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one with MolForge

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Related Compounds

3-[[20,24-dimethyl-19-oxo-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-15-yl]methoxy]propanenitrile
CID 140768447
20,24-dimethyl-15-(2-morpholin-4-ylethoxymethyl)-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one
CID 140768443
4-[2-[(20,24-dimethyl-5,7,14,17,24,26,33-heptazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-15-yl)methoxy]ethyl]morpholine
CID 134238415
benzyl 20,24-dimethyl-19-oxo-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaene-16-carboxylate
CID 118427993
20,24-dimethyl-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaene
CID 123266067
methyl 20,24-dimethyl-19-oxo-5,7,14,17,24,26,33-heptazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaene-15-carboxylate
CID 135208276
N-(2-aminoethyl)-N-[[5-(2-aminopyrimidin-4-yl)-2-pyridinyl]methyl]-2,2-difluoropropanamide;2-(4-benzylpiperazin-1-yl)acetaldehyde;20,24-dimethyl-15-[2-(4-methylpiperazin-1-yl)ethoxymethyl]-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one;ethane;molecular hydrogen
CID 144936706
20,24-dimethyl-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaene-13,19-dione
CID 118428093
20,24-dimethyl-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-18-one
CID 118428100
20,24-dimethyl-5,7,14,17,20,24,26,29,33-nonazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one;ethane;molecular hydrogen
CID 144936738
16-methyl-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one
CID 118427717
4-methoxy-18,21-dimethyl-1,8,10,16,18,21,32-heptazapentacyclo[22.3.2.214,17.13,7.19,13]tritriaconta-3,5,7(33),9,11,13(32),14,16,24,30-decaen-22-one
CID 143861815

Frequently Asked Questions

What is the IUPAC name of 15-(methoxymethyl)-20,24-dimethyl-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one?
The IUPAC name of 15-(methoxymethyl)-20,24-dimethyl-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one (CID 140768444) is 15-(methoxymethyl)-20,24-dimethyl-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one.
What is the SMILES notation for 15-(methoxymethyl)-20,24-dimethyl-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one?
The canonical SMILES for 15-(methoxymethyl)-20,24-dimethyl-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one is COCC1CN2CCN1Cc1cccc(c1)N(COCC[Si](C)(C)C)c1nccc(n1)-c1ccc(nc1)N(C)CCCN(C)C(=O)C2.
What is the InChIKey of 15-(methoxymethyl)-20,24-dimethyl-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one?
The InChIKey is CBHUHBAAMIQDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52N8O3Si/c1-39-15-8-16-40(2)34(44)25-41-17-18-42(31(24-41)26-45-3)23-28-9-7-10-30(21-28)43(27-46-19-20-47(4,5)6)35-36-14-13-32(38-35)29-11-12-33(39)37-22-29/h7,9-14,21-22,31H,8,15-20,23-27H2,1-6H3.
What are the key properties of 15-(methoxymethyl)-20,24-dimethyl-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one?
15-(methoxymethyl)-20,24-dimethyl-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one has a molecular weight of 660.94 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(methoxymethyl)-20,24-dimethyl-7-(2-trimethylsilylethoxymethyl)-5,7,14,17,20,24,26,33-octazapentacyclo[23.2.2.214,17.12,6.18,12]tritriaconta-1(27),2(33),3,5,8,10,12(32),25,28-nonaen-19-one is sourced from PubChem (CID 140768444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).