N-[2-(cyclohexen-1-yl)ethyl]-2-phthalazin-1-yloxyacetamide

C18H21N3O2 — CID 2124093

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-phthalazin-1-yloxyacetamide
SMILESO=C(COc1nncc2ccccc12)NCCC1=CCCCC1
InChIInChI=1S/C18H21N3O2/c22-17(19-11-10-14-6-2-1-3-7-14)13-23-18-16-9-5-4-8-15(16)12-20-21-18/h4-6,8-9,12H,1-3,7,10-11,13H2,(H,19,22)
InChIKeyAZLWBQPSZAMROK-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.02
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-phthalazin-1-yloxyacetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-phthalazin-1-yloxyacetamide (PubChem CID 2124093) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-phthalazin-1-yloxyacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-phthalazin-1-yloxyacetamide
PubChem CID2124093
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-phthalazin-1-yloxyacetamide
SMILESO=C(COc1nncc2ccccc12)NCCC1=CCCCC1
InChIInChI=1S/C18H21N3O2/c22-17(19-11-10-14-6-2-1-3-7-14)13-23-18-16-9-5-4-8-15(16)12-20-21-18/h4-6,8-9,12H,1-3,7,10-11,13H2,(H,19,22)
InChIKeyAZLWBQPSZAMROK-UHFFFAOYSA-N
XLogP3.02
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.02
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-phthalazin-1-yloxyacetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-phthalazin-1-yloxyacetamide (CID 2124093) is N-[2-(cyclohexen-1-yl)ethyl]-2-phthalazin-1-yloxyacetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-phthalazin-1-yloxyacetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-phthalazin-1-yloxyacetamide is O=C(COc1nncc2ccccc12)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-phthalazin-1-yloxyacetamide?
The InChIKey is AZLWBQPSZAMROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17(19-11-10-14-6-2-1-3-7-14)13-23-18-16-9-5-4-8-15(16)12-20-21-18/h4-6,8-9,12H,1-3,7,10-11,13H2,(H,19,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-phthalazin-1-yloxyacetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-phthalazin-1-yloxyacetamide has a molecular weight of 311.38 g/mol, XLogP of 3.02, 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-phthalazin-1-yloxyacetamide is sourced from PubChem (CID 2124093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).