14-[2-(diethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one

C22H22N2O2 — CID 53231530

IUPAC14-[2-(diethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
SMILESCCN(CC)CCOc1cnc2c3c(cccc13)C(=O)c1ccccc1-2
InChIInChI=1S/C22H22N2O2/c1-3-24(4-2)12-13-26-19-14-23-21-15-8-5-6-9-16(15)22(25)18-11-7-10-17(19)20(18)21/h5-11,14H,3-4,12-13H2,1-2H3
InChIKeyMTEXBKFFTSVXID-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.17
Rot. Bonds6

About 14-[2-(diethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one

14-[2-(diethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one (PubChem CID 53231530) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 14-[2-(diethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one.

Molecular Properties

Compound Name14-[2-(diethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
PubChem CID53231530
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name14-[2-(diethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
SMILESCCN(CC)CCOc1cnc2c3c(cccc13)C(=O)c1ccccc1-2
InChIInChI=1S/C22H22N2O2/c1-3-24(4-2)12-13-26-19-14-23-21-15-8-5-6-9-16(15)22(25)18-11-7-10-17(19)20(18)21/h5-11,14H,3-4,12-13H2,1-2H3
InChIKeyMTEXBKFFTSVXID-UHFFFAOYSA-N
XLogP4.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-[2-(diethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[2-(diethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one?
The IUPAC name of 14-[2-(diethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one (CID 53231530) is 14-[2-(diethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one.
What is the SMILES notation for 14-[2-(diethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one?
The canonical SMILES for 14-[2-(diethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one is CCN(CC)CCOc1cnc2c3c(cccc13)C(=O)c1ccccc1-2.
What is the InChIKey of 14-[2-(diethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one?
The InChIKey is MTEXBKFFTSVXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-3-24(4-2)12-13-26-19-14-23-21-15-8-5-6-9-16(15)22(25)18-11-7-10-17(19)20(18)21/h5-11,14H,3-4,12-13H2,1-2H3.
What are the key properties of 14-[2-(diethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one?
14-[2-(diethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one has a molecular weight of 346.43 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[2-(diethylamino)ethoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one is sourced from PubChem (CID 53231530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).