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

C20H27N3O3 — CID 92737568

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

(11R)-N-cyclohexyl-11-methyl-9-oxo-10-propyl-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 92737568) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (11R)-N-cyclohexyl-11-methyl-9-oxo-10-propyl-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

• Compound Name: (11R)-N-cyclohexyl-11-methyl-9-oxo-10-propyl-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 92737568
• Molecular Formula: C20H27N3O3
• Molecular Weight: 357.45 g/mol
• Exact Mass: 357.21
• IUPAC Name: (11R)-N-cyclohexyl-11-methyl-9-oxo-10-propyl-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCC1
• InChI: InChI=1S/C20H27N3O3/c1-3-10-23-18(24)16-12-17-15(9-11-26-17)22(16)13-20(23,2)19(25)21-14-7-5-4-6-8-14/h9,11-12,14H,3-8,10,13H2,1-2H3,(H,21,25)/t20-/m1/s1
• InChIKey: SANUCNIWEVUCJE-HXUWFJFHSA-N
• XLogP: 3.31
• TPSA: 67.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.45
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (11R)-N-cyclohexyl-11-methyl-9-oxo-10-propyl-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 92737568) is (11R)-N-cyclohexyl-11-methyl-9-oxo-10-propyl-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-cyclohexyl-11-methyl-9-oxo-10-propyl-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The canonical SMILES for (11R)-N-cyclohexyl-11-methyl-9-oxo-10-propyl-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is CCCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCC1.

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

The InChIKey is SANUCNIWEVUCJE-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-3-10-23-18(24)16-12-17-15(9-11-26-17)22(16)13-20(23,2)19(25)21-14-7-5-4-6-8-14/h9,11-12,14H,3-8,10,13H2,1-2H3,(H,21,25)/t20-/m1/s1.

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

(11R)-N-cyclohexyl-11-methyl-9-oxo-10-propyl-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (11R)-N-cyclohexyl-11-methyl-9-oxo-10-propyl-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 92737568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).