10,16-dimethyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol

C20H33NO2 — CID 77440562

IUPAC10,16-dimethyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol
SMILESCC1CCC2C(C1)OC1CC(C)CC3C4CC(O)CCC4N2C13
InChIInChI=1S/C20H33NO2/c1-11-3-5-17-18(8-11)23-19-9-12(2)7-15-14-10-13(22)4-6-16(14)21(17)20(15)19/h11-20,22H,3-10H2,1-2H3
InChIKeyOGIADTJYDLTFQW-UHFFFAOYSA-N
MW319.49 g/mol
LogP3.20
Rot. Bonds

About 10,16-dimethyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol

10,16-dimethyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol (PubChem CID 77440562) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 10,16-dimethyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol.

Molecular Properties

Compound Name10,16-dimethyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol
PubChem CID77440562
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name10,16-dimethyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol
SMILESCC1CCC2C(C1)OC1CC(C)CC3C4CC(O)CCC4N2C13
InChIInChI=1S/C20H33NO2/c1-11-3-5-17-18(8-11)23-19-9-12(2)7-15-14-10-13(22)4-6-16(14)21(17)20(15)19/h11-20,22H,3-10H2,1-2H3
InChIKeyOGIADTJYDLTFQW-UHFFFAOYSA-N
XLogP3.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10,16-dimethyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol?
The IUPAC name of 10,16-dimethyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol (CID 77440562) is 10,16-dimethyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol.
What is the SMILES notation for 10,16-dimethyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol?
The canonical SMILES for 10,16-dimethyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol is CC1CCC2C(C1)OC1CC(C)CC3C4CC(O)CCC4N2C13.
What is the InChIKey of 10,16-dimethyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol?
The InChIKey is OGIADTJYDLTFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-11-3-5-17-18(8-11)23-19-9-12(2)7-15-14-10-13(22)4-6-16(14)21(17)20(15)19/h11-20,22H,3-10H2,1-2H3.
What are the key properties of 10,16-dimethyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol?
10,16-dimethyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol has a molecular weight of 319.49 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,16-dimethyl-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosan-5-ol is sourced from PubChem (CID 77440562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).