(11R)-10-cycloheptyl-N-[(1S,2R,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

C26H37N3O3 — CID 92738108

About (11R)-10-cycloheptyl-N-[(1S,2R,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-cycloheptyl-N-[(1S,2R,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 92738108) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is (11R)-10-cycloheptyl-N-[(1S,2R,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-cycloheptyl-N-[(1S,2R,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: 92738108
• Molecular Formula: C26H37N3O3
• Molecular Weight: 439.60 g/mol
• Exact Mass: 439.28
• IUPAC Name: (11R)-10-cycloheptyl-N-[(1S,2R,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: C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@]1(C)Cn2c(cc3occc32)C(=O)N1C1CCCCCC1
• InChI: InChI=1S/C26H37N3O3/c1-17-9-8-12-20(18(17)2)27-25(31)26(3)16-28-21-13-14-32-23(21)15-22(28)24(30)29(26)19-10-6-4-5-7-11-19/h13-15,17-20H,4-12,16H2,1-3H3,(H,27,31)/t17-,18-,20+,26-/m1/s1
• InChIKey: NQLOBCDLLTUWMK-CKWPORTCSA-N
• XLogP: 5.11
• TPSA: 67.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.60
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (11R)-10-cycloheptyl-N-[(1S,2R,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-cycloheptyl-N-[(1S,2R,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 92738108) is (11R)-10-cycloheptyl-N-[(1S,2R,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-cycloheptyl-N-[(1S,2R,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-cycloheptyl-N-[(1S,2R,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 C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)[C@@]1(C)Cn2c(cc3occc32)C(=O)N1C1CCCCCC1.

What is the InChIKey of (11R)-10-cycloheptyl-N-[(1S,2R,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 NQLOBCDLLTUWMK-CKWPORTCSA-N. The full InChI is InChI=1S/C26H37N3O3/c1-17-9-8-12-20(18(17)2)27-25(31)26(3)16-28-21-13-14-32-23(21)15-22(28)24(30)29(26)19-10-6-4-5-7-11-19/h13-15,17-20H,4-12,16H2,1-3H3,(H,27,31)/t17-,18-,20+,26-/m1/s1.

What are the key properties of (11R)-10-cycloheptyl-N-[(1S,2R,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-cycloheptyl-N-[(1S,2R,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 439.60 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (11R)-10-cycloheptyl-N-[(1S,2R,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 92738108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).