N-(2,3-dimethylcyclohexyl)-10-[(4-ethoxyphenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

C28H35N3O4 — CID 50756808

About N-(2,3-dimethylcyclohexyl)-10-[(4-ethoxyphenyl)methyl]-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-[(4-ethoxyphenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 50756808) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-10-[(4-ethoxyphenyl)methyl]-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-[(4-ethoxyphenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 50756808
• Molecular Formula: C28H35N3O4
• Molecular Weight: 477.61 g/mol
• Exact Mass: 477.26
• IUPAC Name: N-(2,3-dimethylcyclohexyl)-10-[(4-ethoxyphenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: CCOc1ccc(CN2C(=O)c3cc4occc4n3CC2(C)C(=O)NC2CCCC(C)C2C)cc1
• InChI: InChI=1S/C28H35N3O4/c1-5-34-21-11-9-20(10-12-21)16-31-26(32)24-15-25-23(13-14-35-25)30(24)17-28(31,4)27(33)29-22-8-6-7-18(2)19(22)3/h9-15,18-19,22H,5-8,16-17H2,1-4H3,(H,29,33)
• InChIKey: WGZNBKRJUIAQFK-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 76.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.61
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-10-[(4-ethoxyphenyl)methyl]-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-[(4-ethoxyphenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 50756808) is N-(2,3-dimethylcyclohexyl)-10-[(4-ethoxyphenyl)methyl]-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-[(4-ethoxyphenyl)methyl]-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-[(4-ethoxyphenyl)methyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is CCOc1ccc(CN2C(=O)c3cc4occc4n3CC2(C)C(=O)NC2CCCC(C)C2C)cc1.

What is the InChIKey of N-(2,3-dimethylcyclohexyl)-10-[(4-ethoxyphenyl)methyl]-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 WGZNBKRJUIAQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-5-34-21-11-9-20(10-12-21)16-31-26(32)24-15-25-23(13-14-35-25)30(24)17-28(31,4)27(33)29-22-8-6-7-18(2)19(22)3/h9-15,18-19,22H,5-8,16-17H2,1-4H3,(H,29,33).

What are the key properties of N-(2,3-dimethylcyclohexyl)-10-[(4-ethoxyphenyl)methyl]-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-[(4-ethoxyphenyl)methyl]-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 477.61 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethylcyclohexyl)-10-[(4-ethoxyphenyl)methyl]-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 50756808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).