4-(12-cyclohexyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-N,N-dimethylbenzamide

C23H25N5O — CID 58382047

IUPAC4-(12-cyclohexyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2nc(C3CCCCC3)n3c2cnc2[nH]ccc23)cc1
InChIInChI=1S/C23H25N5O/c1-27(2)23(29)17-10-8-15(9-11-17)20-19-14-25-21-18(12-13-24-21)28(19)22(26-20)16-6-4-3-5-7-16/h8-14,16,24H,3-7H2,1-2H3
InChIKeyOAVYRHFAHZHTLX-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.63
Rot. Bonds3

About 4-(12-cyclohexyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-N,N-dimethylbenzamide

4-(12-cyclohexyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-N,N-dimethylbenzamide (PubChem CID 58382047) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-(12-cyclohexyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(12-cyclohexyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-N,N-dimethylbenzamide
PubChem CID58382047
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name4-(12-cyclohexyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2nc(C3CCCCC3)n3c2cnc2[nH]ccc23)cc1
InChIInChI=1S/C23H25N5O/c1-27(2)23(29)17-10-8-15(9-11-17)20-19-14-25-21-18(12-13-24-21)28(19)22(26-20)16-6-4-3-5-7-16/h8-14,16,24H,3-7H2,1-2H3
InChIKeyOAVYRHFAHZHTLX-UHFFFAOYSA-N
XLogP4.63
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(12-cyclohexyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-N,N-dimethylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(12-cyclohexyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-N,N-dimethylbenzamide?
The IUPAC name of 4-(12-cyclohexyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-N,N-dimethylbenzamide (CID 58382047) is 4-(12-cyclohexyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(12-cyclohexyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 4-(12-cyclohexyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2nc(C3CCCCC3)n3c2cnc2[nH]ccc23)cc1.
What is the InChIKey of 4-(12-cyclohexyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-N,N-dimethylbenzamide?
The InChIKey is OAVYRHFAHZHTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-27(2)23(29)17-10-8-15(9-11-17)20-19-14-25-21-18(12-13-24-21)28(19)22(26-20)16-6-4-3-5-7-16/h8-14,16,24H,3-7H2,1-2H3.
What are the key properties of 4-(12-cyclohexyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-N,N-dimethylbenzamide?
4-(12-cyclohexyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-N,N-dimethylbenzamide has a molecular weight of 387.49 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(12-cyclohexyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 58382047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).