N-nonyl-2-(1-oxophthalazin-2-yl)acetamide

C19H27N3O2 — CID 46576898

IUPACN-nonyl-2-(1-oxophthalazin-2-yl)acetamide
SMILESCCCCCCCCCNC(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C19H27N3O2/c1-2-3-4-5-6-7-10-13-20-18(23)15-22-19(24)17-12-9-8-11-16(17)14-21-22/h8-9,11-12,14H,2-7,10,13,15H2,1H3,(H,20,23)
InChIKeyYSBUSEUJFFNNAX-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.26
Rot. Bonds10

About N-nonyl-2-(1-oxophthalazin-2-yl)acetamide

N-nonyl-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 46576898) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-nonyl-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-nonyl-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID46576898
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-nonyl-2-(1-oxophthalazin-2-yl)acetamide
SMILESCCCCCCCCCNC(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C19H27N3O2/c1-2-3-4-5-6-7-10-13-20-18(23)15-22-19(24)17-12-9-8-11-16(17)14-21-22/h8-9,11-12,14H,2-7,10,13,15H2,1H3,(H,20,23)
InChIKeyYSBUSEUJFFNNAX-UHFFFAOYSA-N
XLogP3.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-nonyl-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-nonyl-2-(1-oxophthalazin-2-yl)acetamide (CID 46576898) is N-nonyl-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-nonyl-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-nonyl-2-(1-oxophthalazin-2-yl)acetamide is CCCCCCCCCNC(=O)Cn1ncc2ccccc2c1=O.
What is the InChIKey of N-nonyl-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is YSBUSEUJFFNNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-3-4-5-6-7-10-13-20-18(23)15-22-19(24)17-12-9-8-11-16(17)14-21-22/h8-9,11-12,14H,2-7,10,13,15H2,1H3,(H,20,23).
What are the key properties of N-nonyl-2-(1-oxophthalazin-2-yl)acetamide?
N-nonyl-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 329.44 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonyl-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 46576898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).