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

C23H33N3O3 — CID 92737752

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

(11S)-11-methyl-10-(3-methylbutyl)-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 92737752) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is (11S)-11-methyl-10-(3-methylbutyl)-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

• Compound Name: (11S)-11-methyl-10-(3-methylbutyl)-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 92737752
• Molecular Formula: C23H33N3O3
• Molecular Weight: 399.54 g/mol
• Exact Mass: 399.25
• IUPAC Name: (11S)-11-methyl-10-(3-methylbutyl)-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: CC(C)CCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1
• InChI: InChI=1S/C23H33N3O3/c1-15(2)9-11-26-21(27)19-13-20-18(10-12-29-20)25(19)14-23(26,4)22(28)24-17-7-5-16(3)6-8-17/h10,12-13,15-17H,5-9,11,14H2,1-4H3,(H,24,28)/t16?,17?,23-/m0/s1
• InChIKey: HCBLRRYSSSXSDQ-OCJFHSIUSA-N
• XLogP: 4.19
• TPSA: 67.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.54
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (11S)-11-methyl-10-(3-methylbutyl)-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 92737752) is (11S)-11-methyl-10-(3-methylbutyl)-N-(4-methylcyclohexyl)-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 (11S)-11-methyl-10-(3-methylbutyl)-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The canonical SMILES for (11S)-11-methyl-10-(3-methylbutyl)-N-(4-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is CC(C)CCN1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCC(C)CC1.

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

The InChIKey is HCBLRRYSSSXSDQ-OCJFHSIUSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-15(2)9-11-26-21(27)19-13-20-18(10-12-29-20)25(19)14-23(26,4)22(28)24-17-7-5-16(3)6-8-17/h10,12-13,15-17H,5-9,11,14H2,1-4H3,(H,24,28)/t16?,17?,23-/m0/s1.

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

(11S)-11-methyl-10-(3-methylbutyl)-N-(4-methylcyclohexyl)-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 399.54 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (11S)-11-methyl-10-(3-methylbutyl)-N-(4-methylcyclohexyl)-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 92737752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).