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

C24H26ClN3O3 — CID 92737541

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

(11S)-10-(5-chloro-2-methylphenyl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 92737541) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is (11S)-10-(5-chloro-2-methylphenyl)-N-cyclohexyl-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: (11S)-10-(5-chloro-2-methylphenyl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 92737541
• Molecular Formula: C24H26ClN3O3
• Molecular Weight: 439.94 g/mol
• Exact Mass: 439.17
• IUPAC Name: (11S)-10-(5-chloro-2-methylphenyl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: Cc1ccc(Cl)cc1N1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCC1
• InChI: InChI=1S/C24H26ClN3O3/c1-15-8-9-16(25)12-19(15)28-22(29)20-13-21-18(10-11-31-21)27(20)14-24(28,2)23(30)26-17-6-4-3-5-7-17/h8-13,17H,3-7,14H2,1-2H3,(H,26,30)/t24-/m0/s1
• InChIKey: LNFJYNJQNUYWFG-DEOSSOPVSA-N
• XLogP: 5.06
• TPSA: 67.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.94
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (11S)-10-(5-chloro-2-methylphenyl)-N-cyclohexyl-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 (11S)-10-(5-chloro-2-methylphenyl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 92737541) is (11S)-10-(5-chloro-2-methylphenyl)-N-cyclohexyl-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 (11S)-10-(5-chloro-2-methylphenyl)-N-cyclohexyl-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 (11S)-10-(5-chloro-2-methylphenyl)-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is Cc1ccc(Cl)cc1N1C(=O)c2cc3occc3n2C[C@@]1(C)C(=O)NC1CCCCC1.

What is the InChIKey of (11S)-10-(5-chloro-2-methylphenyl)-N-cyclohexyl-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 LNFJYNJQNUYWFG-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-15-8-9-16(25)12-19(15)28-22(29)20-13-21-18(10-11-31-21)27(20)14-24(28,2)23(30)26-17-6-4-3-5-7-17/h8-13,17H,3-7,14H2,1-2H3,(H,26,30)/t24-/m0/s1.

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

(11S)-10-(5-chloro-2-methylphenyl)-N-cyclohexyl-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 439.94 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (11S)-10-(5-chloro-2-methylphenyl)-N-cyclohexyl-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 92737541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).