N-(2,3-dimethylcyclohexyl)-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

C27H33N3O3 — CID 50756821

About N-(2,3-dimethylcyclohexyl)-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

N-(2,3-dimethylcyclohexyl)-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 50756821) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dimethylcyclohexyl)-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 50756821
• Molecular Formula: C27H33N3O3
• Molecular Weight: 447.58 g/mol
• Exact Mass: 447.25
• IUPAC Name: N-(2,3-dimethylcyclohexyl)-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: Cc1cccc(N2C(=O)c3cc4occc4n3CC2(C)C(=O)NC2CCCC(C)C2C)c1C
• InChI: InChI=1S/C27H33N3O3/c1-16-8-6-10-20(18(16)3)28-26(32)27(5)15-29-22-12-13-33-24(22)14-23(29)25(31)30(27)21-11-7-9-17(2)19(21)4/h7,9,11-14,16,18,20H,6,8,10,15H2,1-5H3,(H,28,32)
• InChIKey: OGSNZCWXZMEMQV-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 67.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.58
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The IUPAC name of N-(2,3-dimethylcyclohexyl)-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 50756821) is N-(2,3-dimethylcyclohexyl)-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The canonical SMILES for N-(2,3-dimethylcyclohexyl)-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is Cc1cccc(N2C(=O)c3cc4occc4n3CC2(C)C(=O)NC2CCCC(C)C2C)c1C.

What is the InChIKey of N-(2,3-dimethylcyclohexyl)-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The InChIKey is OGSNZCWXZMEMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-16-8-6-10-20(18(16)3)28-26(32)27(5)15-29-22-12-13-33-24(22)14-23(29)25(31)30(27)21-11-7-9-17(2)19(21)4/h7,9,11-14,16,18,20H,6,8,10,15H2,1-5H3,(H,28,32).

What are the key properties of N-(2,3-dimethylcyclohexyl)-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

N-(2,3-dimethylcyclohexyl)-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethylcyclohexyl)-10-(2,3-dimethylphenyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 50756821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).