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

C26H31N3O3 — CID 11683477

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

N-cycloheptyl-9-oxo-11-phenyl-10-propyl-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 11683477) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-cycloheptyl-9-oxo-11-phenyl-10-propyl-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

• Compound Name: N-cycloheptyl-9-oxo-11-phenyl-10-propyl-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 11683477
• Molecular Formula: C26H31N3O3
• Molecular Weight: 433.55 g/mol
• Exact Mass: 433.24
• IUPAC Name: N-cycloheptyl-9-oxo-11-phenyl-10-propyl-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: CCCN1C(=O)c2cc3occc3n2CC1(C(=O)NC1CCCCCC1)c1ccccc1
• InChI: InChI=1S/C26H31N3O3/c1-2-15-29-24(30)22-17-23-21(14-16-32-23)28(22)18-26(29,19-10-6-5-7-11-19)25(31)27-20-12-8-3-4-9-13-20/h5-7,10-11,14,16-17,20H,2-4,8-9,12-13,15,18H2,1H3,(H,27,31)
• InChIKey: HEUKPTBMLBMCCY-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 67.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.55
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-cycloheptyl-9-oxo-11-phenyl-10-propyl-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 11683477) is N-cycloheptyl-9-oxo-11-phenyl-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 N-cycloheptyl-9-oxo-11-phenyl-10-propyl-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The canonical SMILES for N-cycloheptyl-9-oxo-11-phenyl-10-propyl-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is CCCN1C(=O)c2cc3occc3n2CC1(C(=O)NC1CCCCCC1)c1ccccc1.

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

The InChIKey is HEUKPTBMLBMCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-2-15-29-24(30)22-17-23-21(14-16-32-23)28(22)18-26(29,19-10-6-5-7-11-19)25(31)27-20-12-8-3-4-9-13-20/h5-7,10-11,14,16-17,20H,2-4,8-9,12-13,15,18H2,1H3,(H,27,31).

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

N-cycloheptyl-9-oxo-11-phenyl-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 433.55 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cycloheptyl-9-oxo-11-phenyl-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 11683477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).