1-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-(dimethylamino)ethanone

C24H33N3O — CID 46500834

IUPAC1-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCCC31
InChIInChI=1S/C24H33N3O/c1-25(2)16-23(28)26-13-14-27-21-12-11-18(17-7-4-3-5-8-17)15-20(21)19-9-6-10-22(26)24(19)27/h11-12,15,17,22H,3-10,13-14,16H2,1-2H3
InChIKeyGVJWWWGOKWHSQH-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.47
Rot. Bonds3

About 1-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-(dimethylamino)ethanone

1-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-(dimethylamino)ethanone (PubChem CID 46500834) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 1-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-(dimethylamino)ethanone
PubChem CID46500834
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name1-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCCC31
InChIInChI=1S/C24H33N3O/c1-25(2)16-23(28)26-13-14-27-21-12-11-18(17-7-4-3-5-8-17)15-20(21)19-9-6-10-22(26)24(19)27/h11-12,15,17,22H,3-10,13-14,16H2,1-2H3
InChIKeyGVJWWWGOKWHSQH-UHFFFAOYSA-N
XLogP4.47
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-(dimethylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-(dimethylamino)ethanone (CID 46500834) is 1-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-(dimethylamino)ethanone is CN(C)CC(=O)N1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCCC31.
What is the InChIKey of 1-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-(dimethylamino)ethanone?
The InChIKey is GVJWWWGOKWHSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-25(2)16-23(28)26-13-14-27-21-12-11-18(17-7-4-3-5-8-17)15-20(21)19-9-6-10-22(26)24(19)27/h11-12,15,17,22H,3-10,13-14,16H2,1-2H3.
What are the key properties of 1-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-(dimethylamino)ethanone?
1-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-(dimethylamino)ethanone has a molecular weight of 379.55 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 46500834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).