2-(15-methoxy-5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13(18),14,16-octaen-10-yl)ethanol

C22H23N3O3 — CID 11810940

IUPAC2-(15-methoxy-5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13(18),14,16-octaen-10-yl)ethanol
SMILESCOc1ccc2c(c1)-c1nn(CCO)c3cc4c(c(c13)N2C)C=CC(C)(C)O4
InChIInChI=1S/C22H23N3O3/c1-22(2)8-7-14-18(28-22)12-17-19-20(23-25(17)9-10-26)15-11-13(27-4)5-6-16(15)24(3)21(14)19/h5-8,11-12,26H,9-10H2,1-4H3
InChIKeyDOLJNUCVMCUKRV-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.97
Rot. Bonds3

About 2-(15-methoxy-5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13(18),14,16-octaen-10-yl)ethanol

2-(15-methoxy-5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13(18),14,16-octaen-10-yl)ethanol (PubChem CID 11810940) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(15-methoxy-5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13(18),14,16-octaen-10-yl)ethanol.

Molecular Properties

Compound Name2-(15-methoxy-5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13(18),14,16-octaen-10-yl)ethanol
PubChem CID11810940
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-(15-methoxy-5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13(18),14,16-octaen-10-yl)ethanol
SMILESCOc1ccc2c(c1)-c1nn(CCO)c3cc4c(c(c13)N2C)C=CC(C)(C)O4
InChIInChI=1S/C22H23N3O3/c1-22(2)8-7-14-18(28-22)12-17-19-20(23-25(17)9-10-26)15-11-13(27-4)5-6-16(15)24(3)21(14)19/h5-8,11-12,26H,9-10H2,1-4H3
InChIKeyDOLJNUCVMCUKRV-UHFFFAOYSA-N
XLogP3.97
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(15-methoxy-5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13(18),14,16-octaen-10-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(15-methoxy-5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13(18),14,16-octaen-10-yl)ethanol?
The IUPAC name of 2-(15-methoxy-5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13(18),14,16-octaen-10-yl)ethanol (CID 11810940) is 2-(15-methoxy-5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13(18),14,16-octaen-10-yl)ethanol.
What is the SMILES notation for 2-(15-methoxy-5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13(18),14,16-octaen-10-yl)ethanol?
The canonical SMILES for 2-(15-methoxy-5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13(18),14,16-octaen-10-yl)ethanol is COc1ccc2c(c1)-c1nn(CCO)c3cc4c(c(c13)N2C)C=CC(C)(C)O4.
What is the InChIKey of 2-(15-methoxy-5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13(18),14,16-octaen-10-yl)ethanol?
The InChIKey is DOLJNUCVMCUKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-22(2)8-7-14-18(28-22)12-17-19-20(23-25(17)9-10-26)15-11-13(27-4)5-6-16(15)24(3)21(14)19/h5-8,11-12,26H,9-10H2,1-4H3.
What are the key properties of 2-(15-methoxy-5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13(18),14,16-octaen-10-yl)ethanol?
2-(15-methoxy-5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13(18),14,16-octaen-10-yl)ethanol has a molecular weight of 377.44 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(15-methoxy-5,5,19-trimethyl-6-oxa-10,11,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13(18),14,16-octaen-10-yl)ethanol is sourced from PubChem (CID 11810940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).