[10-methoxy-5,5-bis(4-methoxyphenyl)-11-morpholin-4-yl-21,21-dipropyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaen-18-yl]-morpholin-4-ylmethanone

C50H54N2O7 — CID 151383829

About [10-methoxy-5,5-bis(4-methoxyphenyl)-11-morpholin-4-yl-21,21-dipropyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaen-18-yl]-morpholin-4-ylmethanone

[10-methoxy-5,5-bis(4-methoxyphenyl)-11-morpholin-4-yl-21,21-dipropyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaen-18-yl]-morpholin-4-ylmethanone (PubChem CID 151383829) has the molecular formula C50H54N2O7 and a molecular weight of 794.99 g/mol. Its IUPAC name is [10-methoxy-5,5-bis(4-methoxyphenyl)-11-morpholin-4-yl-21,21-dipropyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaen-18-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [10-methoxy-5,5-bis(4-methoxyphenyl)-11-morpholin-4-yl-21,21-dipropyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaen-18-yl]-morpholin-4-ylmethanone
• PubChem CID: 151383829
• Molecular Formula: C50H54N2O7
• Molecular Weight: 794.99 g/mol
• Exact Mass: 794.39
• IUPAC Name: [10-methoxy-5,5-bis(4-methoxyphenyl)-11-morpholin-4-yl-21,21-dipropyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaen-18-yl]-morpholin-4-ylmethanone
• SMILES: CCCC1(CCC)c2cc(C(=O)N3CCOCC3)ccc2-c2c1c1c(c3cc(OC)c(N4CCOCC4)cc23)OC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C=C1
• InChI: InChI=1S/C50H54N2O7/c1-6-19-49(20-7-2)42-30-33(48(53)52-24-28-58-29-25-52)8-17-38(42)45-40-31-43(51-22-26-57-27-23-51)44(56-5)32-41(40)47-39(46(45)49)18-21-50(59-47,34-9-13-36(54-3)14-10-34)35-11-15-37(55-4)16-12-35/h8-18,21,30-32H,6-7,19-20,22-29H2,1-5H3
• InChIKey: OSZITOQSPZGKNW-UHFFFAOYSA-N
• XLogP: 9.39
• TPSA: 78.93 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.99
LogP ≤ 5	9.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [10-methoxy-5,5-bis(4-methoxyphenyl)-11-morpholin-4-yl-21,21-dipropyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaen-18-yl]-morpholin-4-ylmethanone?

The IUPAC name of [10-methoxy-5,5-bis(4-methoxyphenyl)-11-morpholin-4-yl-21,21-dipropyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaen-18-yl]-morpholin-4-ylmethanone (CID 151383829) is [10-methoxy-5,5-bis(4-methoxyphenyl)-11-morpholin-4-yl-21,21-dipropyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaen-18-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for [10-methoxy-5,5-bis(4-methoxyphenyl)-11-morpholin-4-yl-21,21-dipropyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaen-18-yl]-morpholin-4-ylmethanone?

The canonical SMILES for [10-methoxy-5,5-bis(4-methoxyphenyl)-11-morpholin-4-yl-21,21-dipropyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaen-18-yl]-morpholin-4-ylmethanone is CCCC1(CCC)c2cc(C(=O)N3CCOCC3)ccc2-c2c1c1c(c3cc(OC)c(N4CCOCC4)cc23)OC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C=C1.

What is the InChIKey of [10-methoxy-5,5-bis(4-methoxyphenyl)-11-morpholin-4-yl-21,21-dipropyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaen-18-yl]-morpholin-4-ylmethanone?

The InChIKey is OSZITOQSPZGKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H54N2O7/c1-6-19-49(20-7-2)42-30-33(48(53)52-24-28-58-29-25-52)8-17-38(42)45-40-31-43(51-22-26-57-27-23-51)44(56-5)32-41(40)47-39(46(45)49)18-21-50(59-47,34-9-13-36(54-3)14-10-34)35-11-15-37(55-4)16-12-35/h8-18,21,30-32H,6-7,19-20,22-29H2,1-5H3.

What are the key properties of [10-methoxy-5,5-bis(4-methoxyphenyl)-11-morpholin-4-yl-21,21-dipropyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaen-18-yl]-morpholin-4-ylmethanone?

[10-methoxy-5,5-bis(4-methoxyphenyl)-11-morpholin-4-yl-21,21-dipropyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaen-18-yl]-morpholin-4-ylmethanone has a molecular weight of 794.99 g/mol, XLogP of 9.39, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [10-methoxy-5,5-bis(4-methoxyphenyl)-11-morpholin-4-yl-21,21-dipropyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaen-18-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 151383829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).