N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-propan-2-yl-2-azaspiro[3.5]nonane-7-carboxamide;molecular hydrogen

C30H37N3O2 — CID 170725217

About N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-propan-2-yl-2-azaspiro[3.5]nonane-7-carboxamide;molecular hydrogen

N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-propan-2-yl-2-azaspiro[3.5]nonane-7-carboxamide;molecular hydrogen (PubChem CID 170725217) has the molecular formula C30H37N3O2 and a molecular weight of 471.65 g/mol. Its IUPAC name is N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-propan-2-yl-2-azaspiro[3.5]nonane-7-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-propan-2-yl-2-azaspiro[3.5]nonane-7-carboxamide;molecular hydrogen
• PubChem CID: 170725217
• Molecular Formula: C30H37N3O2
• Molecular Weight: 471.65 g/mol
• Exact Mass: 471.29
• IUPAC Name: N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-propan-2-yl-2-azaspiro[3.5]nonane-7-carboxamide;molecular hydrogen
• SMILES: CC(C)N1CC2(CCC(C(=O)NCCC(=O)N3Cc4ccccc4C#Cc4ccccc43)CC2)C1.[H][H]
• InChI: InChI=1S/C30H35N3O2.H2/c1-22(2)32-20-30(21-32)16-13-25(14-17-30)29(35)31-18-15-28(34)33-19-26-9-4-3-7-23(26)11-12-24-8-5-6-10-27(24)33;/h3-10,22,25H,13-21H2,1-2H3,(H,31,35);1H
• InChIKey: DYXMLCKVTKILAC-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.65
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-propan-2-yl-2-azaspiro[3.5]nonane-7-carboxamide;molecular hydrogen?

The IUPAC name of N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-propan-2-yl-2-azaspiro[3.5]nonane-7-carboxamide;molecular hydrogen (CID 170725217) is N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-propan-2-yl-2-azaspiro[3.5]nonane-7-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-propan-2-yl-2-azaspiro[3.5]nonane-7-carboxamide;molecular hydrogen?

The canonical SMILES for N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-propan-2-yl-2-azaspiro[3.5]nonane-7-carboxamide;molecular hydrogen is CC(C)N1CC2(CCC(C(=O)NCCC(=O)N3Cc4ccccc4C#Cc4ccccc43)CC2)C1.[H][H].

What is the InChIKey of N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-propan-2-yl-2-azaspiro[3.5]nonane-7-carboxamide;molecular hydrogen?

The InChIKey is DYXMLCKVTKILAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O2.H2/c1-22(2)32-20-30(21-32)16-13-25(14-17-30)29(35)31-18-15-28(34)33-19-26-9-4-3-7-23(26)11-12-24-8-5-6-10-27(24)33;/h3-10,22,25H,13-21H2,1-2H3,(H,31,35);1H.

What are the key properties of N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-propan-2-yl-2-azaspiro[3.5]nonane-7-carboxamide;molecular hydrogen?

N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-propan-2-yl-2-azaspiro[3.5]nonane-7-carboxamide;molecular hydrogen has a molecular weight of 471.65 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-2-propan-2-yl-2-azaspiro[3.5]nonane-7-carboxamide;molecular hydrogen is sourced from PubChem (CID 170725217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).