2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide

C17H15N3O3 — CID 17472409

IUPAC2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NOCc1ccccc1
InChIInChI=1S/C17H15N3O3/c21-16(20-23-11-12-6-2-1-3-7-12)10-15-13-8-4-5-9-14(13)17(22)19-18-15/h1-9H,10-11H2,(H,19,22)(H,20,21)
InChIKeyIOMAILKDYDAENK-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.71
Rot. Bonds5

About 2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide

2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide (PubChem CID 17472409) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide
PubChem CID17472409
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NOCc1ccccc1
InChIInChI=1S/C17H15N3O3/c21-16(20-23-11-12-6-2-1-3-7-12)10-15-13-8-4-5-9-14(13)17(22)19-18-15/h1-9H,10-11H2,(H,19,22)(H,20,21)
InChIKeyIOMAILKDYDAENK-UHFFFAOYSA-N
XLogP1.71
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]furan-2-carbohydrazide
CID 2547939
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251322
(4-bromophenyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789831
(2-anilino-2-oxoethyl) 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789870
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17402682
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
N-(benzhydrylideneamino)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 24574917
N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 171679416
(2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid
CID 133269517
cyanomethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251465
N-naphthalen-1-yl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17403437

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide?
The IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide (CID 17472409) is 2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide.
What is the SMILES notation for 2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide?
The canonical SMILES for 2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)NOCc1ccccc1.
What is the InChIKey of 2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide?
The InChIKey is IOMAILKDYDAENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-16(20-23-11-12-6-2-1-3-7-12)10-15-13-8-4-5-9-14(13)17(22)19-18-15/h1-9H,10-11H2,(H,19,22)(H,20,21).
What are the key properties of 2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide?
2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide has a molecular weight of 309.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide is sourced from PubChem (CID 17472409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).