N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide

C13H15N3O3 — CID 110886182

IUPACN-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)NCCCO
InChIInChI=1S/C13H15N3O3/c17-7-3-6-14-12(18)9-16-13(19)11-5-2-1-4-10(11)8-15-16/h1-2,4-5,8,17H,3,6-7,9H2,(H,14,18)
InChIKeyCMXNDRNSARTKMM-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.10
Rot. Bonds5

About N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide

N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 110886182) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID110886182
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)NCCCO
InChIInChI=1S/C13H15N3O3/c17-7-3-6-14-12(18)9-16-13(19)11-5-2-1-4-10(11)8-15-16/h1-2,4-5,8,17H,3,6-7,9H2,(H,14,18)
InChIKeyCMXNDRNSARTKMM-UHFFFAOYSA-N
XLogP-0.10
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 7694826
N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
2-(1-oxophthalazin-2-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 134048724
N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 119619251
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9368902
N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 46571757
2-phenacylphthalazin-1-one
CID 60774188
2-(1-oxophthalazin-2-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55954402
2-(1-oxophthalazin-2-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)acetamide
CID 74233967
2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide
CID 56874919

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide (CID 110886182) is N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide is O=C(Cn1ncc2ccccc2c1=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is CMXNDRNSARTKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-7-3-6-14-12(18)9-16-13(19)11-5-2-1-4-10(11)8-15-16/h1-2,4-5,8,17H,3,6-7,9H2,(H,14,18).
What are the key properties of N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide?
N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 261.28 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 110886182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).