N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C19H19N3O3 — CID 2558717

IUPACN-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCc1ccc(OCCNC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O3/c1-13-6-8-14(9-7-13)25-11-10-20-18(23)12-17-15-4-2-3-5-16(15)19(24)22-21-17/h2-9H,10-12H2,1H3,(H,20,23)(H,22,24)
InChIKeyZFKVAOFWWHTMMG-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.97
Rot. Bonds6

About N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 2558717) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID2558717
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCc1ccc(OCCNC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H19N3O3/c1-13-6-8-14(9-7-13)25-11-10-20-18(23)12-17-15-4-2-3-5-16(15)19(24)22-21-17/h2-9H,10-12H2,1H3,(H,20,23)(H,22,24)
InChIKeyZFKVAOFWWHTMMG-UHFFFAOYSA-N
XLogP1.97
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 18106765
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 171679450
4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide
CID 21213715
butyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 14645870
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
2-(3-methylphenoxy)ethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251291
propan-2-yl 3-(4-methylphenyl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoate
CID 42920378
N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166429063
N-[2-(1H-indol-3-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 2450567
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17406582

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 2558717) is N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is Cc1ccc(OCCNC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is ZFKVAOFWWHTMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-6-8-14(9-7-13)25-11-10-20-18(23)12-17-15-4-2-3-5-16(15)19(24)22-21-17/h2-9H,10-12H2,1H3,(H,20,23)(H,22,24).
What are the key properties of N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 2558717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).