1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)-2-(dimethylamino)ethanone

C19H20N2O — CID 3039378

IUPAC1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1C2Cc3ccccc3C1c1ccccc12
InChIInChI=1S/C19H20N2O/c1-20(2)12-18(22)21-17-11-13-7-3-4-8-14(13)19(21)16-10-6-5-9-15(16)17/h3-10,17,19H,11-12H2,1-2H3
InChIKeyAZMOFSWXAYOXIG-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.78
Rot. Bonds2

About 1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)-2-(dimethylamino)ethanone

1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)-2-(dimethylamino)ethanone (PubChem CID 3039378) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)-2-(dimethylamino)ethanone
PubChem CID3039378
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1C2Cc3ccccc3C1c1ccccc12
InChIInChI=1S/C19H20N2O/c1-20(2)12-18(22)21-17-11-13-7-3-4-8-14(13)19(21)16-10-6-5-9-15(16)17/h3-10,17,19H,11-12H2,1-2H3
InChIKeyAZMOFSWXAYOXIG-UHFFFAOYSA-N
XLogP2.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)-2-(dimethylamino)ethanone (CID 3039378) is 1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)-2-(dimethylamino)ethanone is CN(C)CC(=O)N1C2Cc3ccccc3C1c1ccccc12.
What is the InChIKey of 1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)-2-(dimethylamino)ethanone?
The InChIKey is AZMOFSWXAYOXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-20(2)12-18(22)21-17-11-13-7-3-4-8-14(13)19(21)16-10-6-5-9-15(16)17/h3-10,17,19H,11-12H2,1-2H3.
What are the key properties of 1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)-2-(dimethylamino)ethanone?
1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)-2-(dimethylamino)ethanone has a molecular weight of 292.38 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 3039378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).