2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide

C20H20N4O6 — CID 30475095

IUPAC2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C20H20N4O6/c1-2-29-15-9-5-6-10-16(15)30-12-18(26)22-21-17(25)11-24-20(28)14-8-4-3-7-13(14)19(27)23-24/h3-10H,2,11-12H2,1H3,(H,21,25)(H,22,26)(H,23,27)
InChIKeyCVOVBRQLSHOVPY-UHFFFAOYSA-N
MW412.40 g/mol
LogP0.31
Rot. Bonds7

About 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide

2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide (PubChem CID 30475095) has the molecular formula C20H20N4O6 and a molecular weight of 412.40 g/mol. Its IUPAC name is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
PubChem CID30475095
Molecular FormulaC20H20N4O6
Molecular Weight412.40 g/mol
Exact Mass412.14
IUPAC Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C20H20N4O6/c1-2-29-15-9-5-6-10-16(15)30-12-18(26)22-21-17(25)11-24-20(28)14-8-4-3-7-13(14)19(27)23-24/h3-10H,2,11-12H2,1H3,(H,21,25)(H,22,26)(H,23,27)
InChIKeyCVOVBRQLSHOVPY-UHFFFAOYSA-N
XLogP0.31
TPSA131.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide with MolForge

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Related Compounds

N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 9418997
ethyl 4-(1,4-dioxo-3H-phthalazin-2-yl)-3-oxobutanoate
CID 63898896
2-ethoxyethyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 24518425
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide
CID 40711272
N'-[2-(2-ethoxyphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656633
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethyl-N-methylacetamide
CID 134023520
N-(3-butoxypropyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 27682645
N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2083338
ethyl 3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]benzoate
CID 9228145
N-(cyclobutylmethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 38656580
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 30594377
2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide
CID 9182098

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide (CID 30475095) is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide is CCOc1ccccc1OCC(=O)NNC(=O)Cn1[nH]c(=O)c2ccccc2c1=O.
What is the InChIKey of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide?
The InChIKey is CVOVBRQLSHOVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O6/c1-2-29-15-9-5-6-10-16(15)30-12-18(26)22-21-17(25)11-24-20(28)14-8-4-3-7-13(14)19(27)23-24/h3-10H,2,11-12H2,1H3,(H,21,25)(H,22,26)(H,23,27).
What are the key properties of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide?
2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide has a molecular weight of 412.40 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 30475095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).