N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphthalazin-1-yl)oxyacetamide

C19H23N3O2 — CID 6407535

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphthalazin-1-yl)oxyacetamide
SMILESCc1nnc(OCC(=O)NCCC2=CCCCC2)c2ccccc12
InChIInChI=1S/C19H23N3O2/c1-14-16-9-5-6-10-17(16)19(22-21-14)24-13-18(23)20-12-11-15-7-3-2-4-8-15/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,20,23)
InChIKeyIIJVHQDMGODFJQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.32
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphthalazin-1-yl)oxyacetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphthalazin-1-yl)oxyacetamide (PubChem CID 6407535) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphthalazin-1-yl)oxyacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphthalazin-1-yl)oxyacetamide
PubChem CID6407535
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphthalazin-1-yl)oxyacetamide
SMILESCc1nnc(OCC(=O)NCCC2=CCCCC2)c2ccccc12
InChIInChI=1S/C19H23N3O2/c1-14-16-9-5-6-10-17(16)19(22-21-14)24-13-18(23)20-12-11-15-7-3-2-4-8-15/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,20,23)
InChIKeyIIJVHQDMGODFJQ-UHFFFAOYSA-N
XLogP3.32
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphthalazin-1-yl)oxyacetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphthalazin-1-yl)oxyacetamide (CID 6407535) is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphthalazin-1-yl)oxyacetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphthalazin-1-yl)oxyacetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphthalazin-1-yl)oxyacetamide is Cc1nnc(OCC(=O)NCCC2=CCCCC2)c2ccccc12.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphthalazin-1-yl)oxyacetamide?
The InChIKey is IIJVHQDMGODFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-16-9-5-6-10-17(16)19(22-21-14)24-13-18(23)20-12-11-15-7-3-2-4-8-15/h5-7,9-10H,2-4,8,11-13H2,1H3,(H,20,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphthalazin-1-yl)oxyacetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphthalazin-1-yl)oxyacetamide has a molecular weight of 325.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphthalazin-1-yl)oxyacetamide is sourced from PubChem (CID 6407535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).