5-methoxy-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane

C19H31NO2 — CID 77440552

IUPAC5-methoxy-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane
SMILESCOC1CCC2C(C1)C1CCCC3OC4CCCCC4N2C31
InChIInChI=1S/C19H31NO2/c1-21-12-9-10-15-14(11-12)13-5-4-8-18-19(13)20(15)16-6-2-3-7-17(16)22-18/h12-19H,2-11H2,1H3
InChIKeyKCMLAVJDMXSDNY-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.36
Rot. Bonds1

About 5-methoxy-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane

5-methoxy-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane (PubChem CID 77440552) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 5-methoxy-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane.

Molecular Properties

Compound Name5-methoxy-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane
PubChem CID77440552
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name5-methoxy-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane
SMILESCOC1CCC2C(C1)C1CCCC3OC4CCCCC4N2C31
InChIInChI=1S/C19H31NO2/c1-21-12-9-10-15-14(11-12)13-5-4-8-18-19(13)20(15)16-6-2-3-7-17(16)22-18/h12-19H,2-11H2,1H3
InChIKeyKCMLAVJDMXSDNY-UHFFFAOYSA-N
XLogP3.36
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
The IUPAC name of 5-methoxy-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane (CID 77440552) is 5-methoxy-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane.
What is the SMILES notation for 5-methoxy-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
The canonical SMILES for 5-methoxy-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane is COC1CCC2C(C1)C1CCCC3OC4CCCCC4N2C31.
What is the InChIKey of 5-methoxy-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
The InChIKey is KCMLAVJDMXSDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-21-12-9-10-15-14(11-12)13-5-4-8-18-19(13)20(15)16-6-2-3-7-17(16)22-18/h12-19H,2-11H2,1H3.
What are the key properties of 5-methoxy-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane?
5-methoxy-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane has a molecular weight of 305.46 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosane is sourced from PubChem (CID 77440552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).