2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide

C17H27N3O3 — CID 75465554

IUPAC2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)Cn1nc2c(cc1=O)CCCCC2
InChIInChI=1S/C17H27N3O3/c1-13(2)23-10-6-9-18-16(21)12-20-17(22)11-14-7-4-3-5-8-15(14)19-20/h11,13H,3-10,12H2,1-2H3,(H,18,21)
InChIKeyHQROUWNELZRXDW-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.44
Rot. Bonds7

About 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide

2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 75465554) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID75465554
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)Cn1nc2c(cc1=O)CCCCC2
InChIInChI=1S/C17H27N3O3/c1-13(2)23-10-6-9-18-16(21)12-20-17(22)11-14-7-4-3-5-8-15(14)19-20/h11,13H,3-10,12H2,1-2H3,(H,18,21)
InChIKeyHQROUWNELZRXDW-UHFFFAOYSA-N
XLogP1.44
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide (CID 75465554) is 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)Cn1nc2c(cc1=O)CCCCC2.
What is the InChIKey of 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is HQROUWNELZRXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-13(2)23-10-6-9-18-16(21)12-20-17(22)11-14-7-4-3-5-8-15(14)19-20/h11,13H,3-10,12H2,1-2H3,(H,18,21).
What are the key properties of 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide?
2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 321.42 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 75465554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).