16-methyl-5-propan-2-yl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene

C17H22N2O — CID 24864740

IUPAC16-methyl-5-propan-2-yl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene
SMILESCC(C)C1OCC2c3c(c4ccccc4n3C)CCN21
InChIInChI=1S/C17H22N2O/c1-11(2)17-19-9-8-13-12-6-4-5-7-14(12)18(3)16(13)15(19)10-20-17/h4-7,11,15,17H,8-10H2,1-3H3
InChIKeyLXIGYDJHRLWLHN-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.09
Rot. Bonds1

About 16-methyl-5-propan-2-yl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene

16-methyl-5-propan-2-yl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene (PubChem CID 24864740) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 16-methyl-5-propan-2-yl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene.

Molecular Properties

Compound Name16-methyl-5-propan-2-yl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene
PubChem CID24864740
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name16-methyl-5-propan-2-yl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene
SMILESCC(C)C1OCC2c3c(c4ccccc4n3C)CCN21
InChIInChI=1S/C17H22N2O/c1-11(2)17-19-9-8-13-12-6-4-5-7-14(12)18(3)16(13)15(19)10-20-17/h4-7,11,15,17H,8-10H2,1-3H3
InChIKeyLXIGYDJHRLWLHN-UHFFFAOYSA-N
XLogP3.09
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 16-methyl-5-propan-2-yl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene?
The IUPAC name of 16-methyl-5-propan-2-yl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene (CID 24864740) is 16-methyl-5-propan-2-yl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene.
What is the SMILES notation for 16-methyl-5-propan-2-yl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene?
The canonical SMILES for 16-methyl-5-propan-2-yl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene is CC(C)C1OCC2c3c(c4ccccc4n3C)CCN21.
What is the InChIKey of 16-methyl-5-propan-2-yl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene?
The InChIKey is LXIGYDJHRLWLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11(2)17-19-9-8-13-12-6-4-5-7-14(12)18(3)16(13)15(19)10-20-17/h4-7,11,15,17H,8-10H2,1-3H3.
What are the key properties of 16-methyl-5-propan-2-yl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene?
16-methyl-5-propan-2-yl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene has a molecular weight of 270.38 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-5-propan-2-yl-4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene is sourced from PubChem (CID 24864740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).