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)ethanol

C20H18N2O3 — CID 10925670

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)ethanol
SMILESCC1(C)C=Cc2c(cc3c4c(nn3CCO)-c3ccccc3Oc24)O1
InChIInChI=1S/C20H18N2O3/c1-20(2)8-7-13-16(25-20)11-14-17-18(21-22(14)9-10-23)12-5-3-4-6-15(12)24-19(13)17/h3-8,11,23H,9-10H2,1-2H3
InChIKeyTYRLCKRUTPZZQI-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.99
Rot. Bonds2

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)ethanol

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)ethanol (PubChem CID 10925670) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 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)ethanol.

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)ethanol
PubChem CID10925670
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
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)ethanol
SMILESCC1(C)C=Cc2c(cc3c4c(nn3CCO)-c3ccccc3Oc24)O1
InChIInChI=1S/C20H18N2O3/c1-20(2)8-7-13-16(25-20)11-14-17-18(21-22(14)9-10-23)12-5-3-4-6-15(12)24-19(13)17/h3-8,11,23H,9-10H2,1-2H3
InChIKeyTYRLCKRUTPZZQI-UHFFFAOYSA-N
XLogP3.99
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
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)ethanol 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)ethanol?
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)ethanol (CID 10925670) 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)ethanol.
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)ethanol?
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)ethanol is CC1(C)C=Cc2c(cc3c4c(nn3CCO)-c3ccccc3Oc24)O1.
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)ethanol?
The InChIKey is TYRLCKRUTPZZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-20(2)8-7-13-16(25-20)11-14-17-18(21-22(14)9-10-23)12-5-3-4-6-15(12)24-19(13)17/h3-8,11,23H,9-10H2,1-2H3.
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)ethanol?
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)ethanol has a molecular weight of 334.38 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 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)ethanol is sourced from PubChem (CID 10925670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).