2-[[22-(4-chloro-2-propylphenyl)-11,12-dimethyl-13,15-dioxo-20-oxa-13λ4-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-trien-7-yl]methyl-[2-[2-methoxyethyl(methyl)amino]ethyl]amino]acetaldehyde;methoxymethane

C43H67ClN4O6S — CID 142444891

About 2-[[22-(4-chloro-2-propylphenyl)-11,12-dimethyl-13,15-dioxo-20-oxa-13λ4-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-trien-7-yl]methyl-[2-[2-methoxyethyl(methyl)amino]ethyl]amino]acetaldehyde;methoxymethane

2-[[22-(4-chloro-2-propylphenyl)-11,12-dimethyl-13,15-dioxo-20-oxa-13λ4-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-trien-7-yl]methyl-[2-[2-methoxyethyl(methyl)amino]ethyl]amino]acetaldehyde;methoxymethane (PubChem CID 142444891) has the molecular formula C43H67ClN4O6S and a molecular weight of 803.55 g/mol. Its IUPAC name is 2-[[22-(4-chloro-2-propylphenyl)-11,12-dimethyl-13,15-dioxo-20-oxa-13λ4-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-trien-7-yl]methyl-[2-[2-methoxyethyl(methyl)amino]ethyl]amino]acetaldehyde;methoxymethane.

Molecular Properties

• Compound Name: 2-[[22-(4-chloro-2-propylphenyl)-11,12-dimethyl-13,15-dioxo-20-oxa-13λ4-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-trien-7-yl]methyl-[2-[2-methoxyethyl(methyl)amino]ethyl]amino]acetaldehyde;methoxymethane
• PubChem CID: 142444891
• Molecular Formula: C43H67ClN4O6S
• Molecular Weight: 803.55 g/mol
• Exact Mass: 802.45
• IUPAC Name: 2-[[22-(4-chloro-2-propylphenyl)-11,12-dimethyl-13,15-dioxo-20-oxa-13λ4-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-trien-7-yl]methyl-[2-[2-methoxyethyl(methyl)amino]ethyl]amino]acetaldehyde;methoxymethane
• SMILES: CCCc1cc(Cl)ccc1C1COc2ccc3cc2N(C1)CC1CCC1C(CN(CC=O)CCN(C)CCOC)CCCC(C)C(C)S(=O)NC3=O.COC
• InChI: InChI=1S/C41H61ClN4O5S.C2H6O/c1-6-8-31-23-36(42)13-15-37(31)35-27-46-26-34-11-14-38(34)33(25-45(19-21-47)18-17-44(4)20-22-50-5)10-7-9-29(2)30(3)52(49)43-41(48)32-12-16-40(51-28-35)39(46)24-32;1-3-2/h12-13,15-16,21,23-24,29-30,33-35,38H,6-11,14,17-20,22,25-28H2,1-5H3,(H,43,48);1-2H3
• InChIKey: PBJHOGLXZRRSNA-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 100.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	803.55
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[22-(4-chloro-2-propylphenyl)-11,12-dimethyl-13,15-dioxo-20-oxa-13λ4-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-trien-7-yl]methyl-[2-[2-methoxyethyl(methyl)amino]ethyl]amino]acetaldehyde;methoxymethane?

The IUPAC name of 2-[[22-(4-chloro-2-propylphenyl)-11,12-dimethyl-13,15-dioxo-20-oxa-13λ4-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-trien-7-yl]methyl-[2-[2-methoxyethyl(methyl)amino]ethyl]amino]acetaldehyde;methoxymethane (CID 142444891) is 2-[[22-(4-chloro-2-propylphenyl)-11,12-dimethyl-13,15-dioxo-20-oxa-13λ4-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-trien-7-yl]methyl-[2-[2-methoxyethyl(methyl)amino]ethyl]amino]acetaldehyde;methoxymethane.

What is the SMILES notation for 2-[[22-(4-chloro-2-propylphenyl)-11,12-dimethyl-13,15-dioxo-20-oxa-13λ4-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-trien-7-yl]methyl-[2-[2-methoxyethyl(methyl)amino]ethyl]amino]acetaldehyde;methoxymethane?

The canonical SMILES for 2-[[22-(4-chloro-2-propylphenyl)-11,12-dimethyl-13,15-dioxo-20-oxa-13λ4-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-trien-7-yl]methyl-[2-[2-methoxyethyl(methyl)amino]ethyl]amino]acetaldehyde;methoxymethane is CCCc1cc(Cl)ccc1C1COc2ccc3cc2N(C1)CC1CCC1C(CN(CC=O)CCN(C)CCOC)CCCC(C)C(C)S(=O)NC3=O.COC.

What is the InChIKey of 2-[[22-(4-chloro-2-propylphenyl)-11,12-dimethyl-13,15-dioxo-20-oxa-13λ4-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-trien-7-yl]methyl-[2-[2-methoxyethyl(methyl)amino]ethyl]amino]acetaldehyde;methoxymethane?

The InChIKey is PBJHOGLXZRRSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H61ClN4O5S.C2H6O/c1-6-8-31-23-36(42)13-15-37(31)35-27-46-26-34-11-14-38(34)33(25-45(19-21-47)18-17-44(4)20-22-50-5)10-7-9-29(2)30(3)52(49)43-41(48)32-12-16-40(51-28-35)39(46)24-32;1-3-2/h12-13,15-16,21,23-24,29-30,33-35,38H,6-11,14,17-20,22,25-28H2,1-5H3,(H,43,48);1-2H3.

What are the key properties of 2-[[22-(4-chloro-2-propylphenyl)-11,12-dimethyl-13,15-dioxo-20-oxa-13λ4-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-trien-7-yl]methyl-[2-[2-methoxyethyl(methyl)amino]ethyl]amino]acetaldehyde;methoxymethane?

2-[[22-(4-chloro-2-propylphenyl)-11,12-dimethyl-13,15-dioxo-20-oxa-13λ4-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-trien-7-yl]methyl-[2-[2-methoxyethyl(methyl)amino]ethyl]amino]acetaldehyde;methoxymethane has a molecular weight of 803.55 g/mol, XLogP of 6.86, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[22-(4-chloro-2-propylphenyl)-11,12-dimethyl-13,15-dioxo-20-oxa-13λ4-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-16(25),17,19(24)-trien-7-yl]methyl-[2-[2-methoxyethyl(methyl)amino]ethyl]amino]acetaldehyde;methoxymethane is sourced from PubChem (CID 142444891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).