2-methyl-6-(2-phenoxyethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene

C22H24N2O2 — CID 19372792

IUPAC2-methyl-6-(2-phenoxyethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
SMILESCC12OCCN(CCOc3ccccc3)C1Cc1c[nH]c3cccc2c13
InChIInChI=1S/C22H24N2O2/c1-22-18-8-5-9-19-21(18)16(15-23-19)14-20(22)24(11-13-26-22)10-12-25-17-6-3-2-4-7-17/h2-9,15,20,23H,10-14H2,1H3
InChIKeyDXAOHSZYCJXDHN-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.72
Rot. Bonds4

About 2-methyl-6-(2-phenoxyethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene

2-methyl-6-(2-phenoxyethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene (PubChem CID 19372792) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-methyl-6-(2-phenoxyethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene.

Molecular Properties

Compound Name2-methyl-6-(2-phenoxyethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
PubChem CID19372792
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-methyl-6-(2-phenoxyethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene
SMILESCC12OCCN(CCOc3ccccc3)C1Cc1c[nH]c3cccc2c13
InChIInChI=1S/C22H24N2O2/c1-22-18-8-5-9-19-21(18)16(15-23-19)14-20(22)24(11-13-26-22)10-12-25-17-6-3-2-4-7-17/h2-9,15,20,23H,10-14H2,1H3
InChIKeyDXAOHSZYCJXDHN-UHFFFAOYSA-N
XLogP3.72
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-phenoxyethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene?
The IUPAC name of 2-methyl-6-(2-phenoxyethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene (CID 19372792) is 2-methyl-6-(2-phenoxyethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene.
What is the SMILES notation for 2-methyl-6-(2-phenoxyethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene?
The canonical SMILES for 2-methyl-6-(2-phenoxyethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene is CC12OCCN(CCOc3ccccc3)C1Cc1c[nH]c3cccc2c13.
What is the InChIKey of 2-methyl-6-(2-phenoxyethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene?
The InChIKey is DXAOHSZYCJXDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-22-18-8-5-9-19-21(18)16(15-23-19)14-20(22)24(11-13-26-22)10-12-25-17-6-3-2-4-7-17/h2-9,15,20,23H,10-14H2,1H3.
What are the key properties of 2-methyl-6-(2-phenoxyethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene?
2-methyl-6-(2-phenoxyethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene has a molecular weight of 348.45 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-phenoxyethyl)-3-oxa-6,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene is sourced from PubChem (CID 19372792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).