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

C29H37N3O4 — CID 92738095

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

(11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-10-[(4-propan-2-yloxyphenyl)methyl]-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 92738095) has the molecular formula C29H37N3O4 and a molecular weight of 491.63 g/mol. Its IUPAC name is (11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-10-[(4-propan-2-yloxyphenyl)methyl]-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

• Compound Name: (11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-10-[(4-propan-2-yloxyphenyl)methyl]-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 92738095
• Molecular Formula: C29H37N3O4
• Molecular Weight: 491.63 g/mol
• Exact Mass: 491.28
• IUPAC Name: (11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-10-[(4-propan-2-yloxyphenyl)methyl]-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: CC(C)Oc1ccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1
• InChI: InChI=1S/C29H37N3O4/c1-18(2)36-22-11-9-21(10-12-22)16-32-27(33)25-15-26-24(13-14-35-26)31(25)17-29(32,5)28(34)30-23-8-6-7-19(3)20(23)4/h9-15,18-20,23H,6-8,16-17H2,1-5H3,(H,30,34)/t19-,20+,23-,29-/m1/s1
• InChIKey: SNTKXWVQYVOGTH-WFOUKVBBSA-N
• XLogP: 5.38
• TPSA: 76.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.63
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-10-[(4-propan-2-yloxyphenyl)methyl]-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The IUPAC name of (11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-10-[(4-propan-2-yloxyphenyl)methyl]-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 92738095) is (11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-10-[(4-propan-2-yloxyphenyl)methyl]-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)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-10-[(4-propan-2-yloxyphenyl)methyl]-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The canonical SMILES for (11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-10-[(4-propan-2-yloxyphenyl)methyl]-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is CC(C)Oc1ccc(CN2C(=O)c3cc4occc4n3C[C@]2(C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1.

What is the InChIKey of (11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-10-[(4-propan-2-yloxyphenyl)methyl]-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The InChIKey is SNTKXWVQYVOGTH-WFOUKVBBSA-N. The full InChI is InChI=1S/C29H37N3O4/c1-18(2)36-22-11-9-21(10-12-22)16-32-27(33)25-15-26-24(13-14-35-26)31(25)17-29(32,5)28(34)30-23-8-6-7-19(3)20(23)4/h9-15,18-20,23H,6-8,16-17H2,1-5H3,(H,30,34)/t19-,20+,23-,29-/m1/s1.

What are the key properties of (11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-10-[(4-propan-2-yloxyphenyl)methyl]-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

(11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-10-[(4-propan-2-yloxyphenyl)methyl]-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 491.63 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (11R)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-11-methyl-9-oxo-10-[(4-propan-2-yloxyphenyl)methyl]-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 92738095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).