2-(5,5-dimethyl-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-octaen-10-yl)-N,N-diethylethanamine

C24H27N3O2 — CID 11999971

IUPAC2-(5,5-dimethyl-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-octaen-10-yl)-N,N-diethylethanamine
SMILESCCN(CC)CCn1nc2c3c(c4c(cc31)OC(C)(C)C=C4)Oc1ccccc1-2
InChIInChI=1S/C24H27N3O2/c1-5-26(6-2)13-14-27-18-15-20-17(11-12-24(3,4)29-20)23-21(18)22(25-27)16-9-7-8-10-19(16)28-23/h7-12,15H,5-6,13-14H2,1-4H3
InChIKeyRZGSNWCMCJKRBB-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.34
Rot. Bonds5

About 2-(5,5-dimethyl-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-octaen-10-yl)-N,N-diethylethanamine

2-(5,5-dimethyl-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-octaen-10-yl)-N,N-diethylethanamine (PubChem CID 11999971) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(5,5-dimethyl-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-octaen-10-yl)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(5,5-dimethyl-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-octaen-10-yl)-N,N-diethylethanamine
PubChem CID11999971
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-(5,5-dimethyl-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-octaen-10-yl)-N,N-diethylethanamine
SMILESCCN(CC)CCn1nc2c3c(c4c(cc31)OC(C)(C)C=C4)Oc1ccccc1-2
InChIInChI=1S/C24H27N3O2/c1-5-26(6-2)13-14-27-18-15-20-17(11-12-24(3,4)29-20)23-21(18)22(25-27)16-9-7-8-10-19(16)28-23/h7-12,15H,5-6,13-14H2,1-4H3
InChIKeyRZGSNWCMCJKRBB-UHFFFAOYSA-N
XLogP5.34
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5,5-dimethyl-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-octaen-10-yl)-N,N-diethylethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-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-octaen-10-yl)-N,N-diethylethanamine?
The IUPAC name of 2-(5,5-dimethyl-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-octaen-10-yl)-N,N-diethylethanamine (CID 11999971) is 2-(5,5-dimethyl-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-octaen-10-yl)-N,N-diethylethanamine.
What is the SMILES notation for 2-(5,5-dimethyl-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-octaen-10-yl)-N,N-diethylethanamine?
The canonical SMILES for 2-(5,5-dimethyl-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-octaen-10-yl)-N,N-diethylethanamine is CCN(CC)CCn1nc2c3c(c4c(cc31)OC(C)(C)C=C4)Oc1ccccc1-2.
What is the InChIKey of 2-(5,5-dimethyl-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-octaen-10-yl)-N,N-diethylethanamine?
The InChIKey is RZGSNWCMCJKRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-5-26(6-2)13-14-27-18-15-20-17(11-12-24(3,4)29-20)23-21(18)22(25-27)16-9-7-8-10-19(16)28-23/h7-12,15H,5-6,13-14H2,1-4H3.
What are the key properties of 2-(5,5-dimethyl-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-octaen-10-yl)-N,N-diethylethanamine?
2-(5,5-dimethyl-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-octaen-10-yl)-N,N-diethylethanamine has a molecular weight of 389.50 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-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-octaen-10-yl)-N,N-diethylethanamine is sourced from PubChem (CID 11999971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).