5,5-dimethyl-10-(2-pyrrolidin-1-ylethyl)-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene

C24H25N3O2 — CID 11999972

About 5,5-dimethyl-10-(2-pyrrolidin-1-ylethyl)-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene

5,5-dimethyl-10-(2-pyrrolidin-1-ylethyl)-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene (PubChem CID 11999972) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 5,5-dimethyl-10-(2-pyrrolidin-1-ylethyl)-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene.

Molecular Properties

• Compound Name: 5,5-dimethyl-10-(2-pyrrolidin-1-ylethyl)-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene
• PubChem CID: 11999972
• Molecular Formula: C24H25N3O2
• Molecular Weight: 387.48 g/mol
• Exact Mass: 387.19
• IUPAC Name: 5,5-dimethyl-10-(2-pyrrolidin-1-ylethyl)-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene
• SMILES: CC1(C)C=Cc2c(cc3c4c(nn3CCN3CCCC3)-c3ccccc3Oc24)O1
• InChI: InChI=1S/C24H25N3O2/c1-24(2)10-9-17-20(29-24)15-18-21-22(16-7-3-4-8-19(16)28-23(17)21)25-27(18)14-13-26-11-5-6-12-26/h3-4,7-10,15H,5-6,11-14H2,1-2H3
• InChIKey: ZHVGUJVLKQTUAM-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 39.52 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.48
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-10-(2-pyrrolidin-1-ylethyl)-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene?

The IUPAC name of 5,5-dimethyl-10-(2-pyrrolidin-1-ylethyl)-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene (CID 11999972) is 5,5-dimethyl-10-(2-pyrrolidin-1-ylethyl)-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene.

What is the SMILES notation for 5,5-dimethyl-10-(2-pyrrolidin-1-ylethyl)-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene?

The canonical SMILES for 5,5-dimethyl-10-(2-pyrrolidin-1-ylethyl)-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene is CC1(C)C=Cc2c(cc3c4c(nn3CCN3CCCC3)-c3ccccc3Oc24)O1.

What is the InChIKey of 5,5-dimethyl-10-(2-pyrrolidin-1-ylethyl)-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene?

The InChIKey is ZHVGUJVLKQTUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-24(2)10-9-17-20(29-24)15-18-21-22(16-7-3-4-8-19(16)28-23(17)21)25-27(18)14-13-26-11-5-6-12-26/h3-4,7-10,15H,5-6,11-14H2,1-2H3.

What are the key properties of 5,5-dimethyl-10-(2-pyrrolidin-1-ylethyl)-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene?

5,5-dimethyl-10-(2-pyrrolidin-1-ylethyl)-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene has a molecular weight of 387.48 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-10-(2-pyrrolidin-1-ylethyl)-6,19-dioxa-10,11-diazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene is sourced from PubChem (CID 11999972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).