N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C17H23N3O2 — CID 29445219

IUPACN-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCCCCCCNC(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C17H23N3O2/c1-3-4-5-8-11-18-16(21)12-20-17(22)15-10-7-6-9-14(15)13(2)19-20/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,18,21)
InChIKeyZWQMGXBXKLBERB-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.40
Rot. Bonds7

About N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 29445219) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID29445219
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCCCCCCNC(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C17H23N3O2/c1-3-4-5-8-11-18-16(21)12-20-17(22)15-10-7-6-9-14(15)13(2)19-20/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,18,21)
InChIKeyZWQMGXBXKLBERB-UHFFFAOYSA-N
XLogP2.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.40
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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Related Compounds

N-nonyl-2-(1-oxophthalazin-2-yl)acetamide
CID 46576898
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29445090
N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36511322
N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875787
N-[2-(3-chlorophenyl)ethyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51322526
2-(4-methyl-1-oxophthalazin-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91772735
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 38295923
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
2-(4-methyl-1-oxophthalazin-2-yl)-N-(pyridin-2-ylmethyl)acetamide;hydrochloride
CID 90485291
4-methyl-2-(2-oxobutyl)phthalazin-1-one
CID 70794390
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 29445219) is N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is CCCCCCNC(=O)Cn1nc(C)c2ccccc2c1=O.
What is the InChIKey of N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is ZWQMGXBXKLBERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-4-5-8-11-18-16(21)12-20-17(22)15-10-7-6-9-14(15)13(2)19-20/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,18,21).
What are the key properties of N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 301.39 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 29445219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).