3-ethyl-N'-[2-(2-methylphenoxy)acetyl]-4-oxophthalazine-1-carbohydrazide

C20H20N4O4 — CID 2670407

IUPAC3-ethyl-N'-[2-(2-methylphenoxy)acetyl]-4-oxophthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)COc2ccccc2C)c2ccccc2c1=O
InChIInChI=1S/C20H20N4O4/c1-3-24-20(27)15-10-6-5-9-14(15)18(23-24)19(26)22-21-17(25)12-28-16-11-7-4-8-13(16)2/h4-11H,3,12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyAWZLCYZBVWXNTG-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.56
Rot. Bonds5

About 3-ethyl-N'-[2-(2-methylphenoxy)acetyl]-4-oxophthalazine-1-carbohydrazide

3-ethyl-N'-[2-(2-methylphenoxy)acetyl]-4-oxophthalazine-1-carbohydrazide (PubChem CID 2670407) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-ethyl-N'-[2-(2-methylphenoxy)acetyl]-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-ethyl-N'-[2-(2-methylphenoxy)acetyl]-4-oxophthalazine-1-carbohydrazide
PubChem CID2670407
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name3-ethyl-N'-[2-(2-methylphenoxy)acetyl]-4-oxophthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)COc2ccccc2C)c2ccccc2c1=O
InChIInChI=1S/C20H20N4O4/c1-3-24-20(27)15-10-6-5-9-14(15)18(23-24)19(26)22-21-17(25)12-28-16-11-7-4-8-13(16)2/h4-11H,3,12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyAWZLCYZBVWXNTG-UHFFFAOYSA-N
XLogP1.56
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-{[4-(2-Phenoxypropanoyl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25218484
N'-[4-(difluoromethoxy)benzoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 4802345
4-oxo-N-(2-phenoxyethyl)-3,4-dihydro-1-phthalazinecarboxamide
CID 1811567
2-Methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]phthalazin-1-one
CID 56682288
3-methyl-4-oxo-N-(2-phenoxyethyl)-3,4-dihydrophthalazine-1-carboxamide
CID 4822256
2-(2-phenoxyethyl)-1(2H)-phthalazinone
CID 803124
2-[4-(3-Methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenoxy]acetamide
CID 941822
Methyl [4-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)phenoxy]acetate
CID 943455
2-[4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)phenoxy]-N-propylacetamide
CID 1943761
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 2089484
3-ethyl-N'-[2-(4-ethylphenoxy)acetyl]-4-oxophthalazine-1-carbohydrazide
CID 2499805
3-[2-(2-Acetylphenoxy)ethyl]-4-oxophthalazine-1-carboxylic acid
CID 2549467

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N'-[2-(2-methylphenoxy)acetyl]-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of 3-ethyl-N'-[2-(2-methylphenoxy)acetyl]-4-oxophthalazine-1-carbohydrazide (CID 2670407) is 3-ethyl-N'-[2-(2-methylphenoxy)acetyl]-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for 3-ethyl-N'-[2-(2-methylphenoxy)acetyl]-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for 3-ethyl-N'-[2-(2-methylphenoxy)acetyl]-4-oxophthalazine-1-carbohydrazide is CCn1nc(C(=O)NNC(=O)COc2ccccc2C)c2ccccc2c1=O.
What is the InChIKey of 3-ethyl-N'-[2-(2-methylphenoxy)acetyl]-4-oxophthalazine-1-carbohydrazide?
The InChIKey is AWZLCYZBVWXNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-3-24-20(27)15-10-6-5-9-14(15)18(23-24)19(26)22-21-17(25)12-28-16-11-7-4-8-13(16)2/h4-11H,3,12H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 3-ethyl-N'-[2-(2-methylphenoxy)acetyl]-4-oxophthalazine-1-carbohydrazide?
3-ethyl-N'-[2-(2-methylphenoxy)acetyl]-4-oxophthalazine-1-carbohydrazide has a molecular weight of 380.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N'-[2-(2-methylphenoxy)acetyl]-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 2670407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).