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

C28H35N3O5 — CID 92738079

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

(11R)-10-[(2,3-dimethoxyphenyl)methyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 92738079) has the molecular formula C28H35N3O5 and a molecular weight of 493.60 g/mol. Its IUPAC name is (11R)-10-[(2,3-dimethoxyphenyl)methyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-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: (11R)-10-[(2,3-dimethoxyphenyl)methyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 92738079
• Molecular Formula: C28H35N3O5
• Molecular Weight: 493.60 g/mol
• Exact Mass: 493.26
• IUPAC Name: (11R)-10-[(2,3-dimethoxyphenyl)methyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: COc1cccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1OC
• InChI: InChI=1S/C28H35N3O5/c1-17-8-6-10-20(18(17)2)29-27(33)28(3)16-30-21-12-13-36-24(21)14-22(30)26(32)31(28)15-19-9-7-11-23(34-4)25(19)35-5/h7,9,11-14,17-18,20H,6,8,10,15-16H2,1-5H3,(H,29,33)/t17-,18+,20-,28-/m1/s1
• InChIKey: SSIOEEYCOIWJJI-CIZNLHKJSA-N
• XLogP: 4.61
• TPSA: 85.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.60
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (11R)-10-[(2,3-dimethoxyphenyl)methyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-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 (11R)-10-[(2,3-dimethoxyphenyl)methyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 92738079) is (11R)-10-[(2,3-dimethoxyphenyl)methyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-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 (11R)-10-[(2,3-dimethoxyphenyl)methyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-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 (11R)-10-[(2,3-dimethoxyphenyl)methyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is COc1cccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1OC.

What is the InChIKey of (11R)-10-[(2,3-dimethoxyphenyl)methyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-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 SSIOEEYCOIWJJI-CIZNLHKJSA-N. The full InChI is InChI=1S/C28H35N3O5/c1-17-8-6-10-20(18(17)2)29-27(33)28(3)16-30-21-12-13-36-24(21)14-22(30)26(32)31(28)15-19-9-7-11-23(34-4)25(19)35-5/h7,9,11-14,17-18,20H,6,8,10,15-16H2,1-5H3,(H,29,33)/t17-,18+,20-,28-/m1/s1.

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

(11R)-10-[(2,3-dimethoxyphenyl)methyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-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 493.60 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (11R)-10-[(2,3-dimethoxyphenyl)methyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-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 92738079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).