N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide

C18H23N3O3 — CID 51091584

IUPACN-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCN(CC1CCCO1)C(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C18H23N3O3/c1-3-20(11-14-7-6-10-24-14)17(22)12-21-18(23)16-9-5-4-8-15(16)13(2)19-21/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3
InChIKeyKUWJBQAPCVJWGU-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.73
Rot. Bonds5

About N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide

N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 51091584) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID51091584
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCN(CC1CCCO1)C(=O)Cn1nc(C)c2ccccc2c1=O
InChIInChI=1S/C18H23N3O3/c1-3-20(11-14-7-6-10-24-14)17(22)12-21-18(23)16-9-5-4-8-15(16)13(2)19-21/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3
InChIKeyKUWJBQAPCVJWGU-UHFFFAOYSA-N
XLogP1.73
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 55526023
N-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide
CID 94489587
2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 56817728
2-[2-[(2R)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 97113197
2-[2-[(2S)-2-(2-methoxyethyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 97113198
N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 70711422
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide
CID 125178218
N-ethyl-N-(oxolan-2-ylmethyl)-2-pyrazolo[1,5-a]pyridin-3-ylacetamide
CID 166239856
3-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide
CID 51966517
N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 91787158
N-[(2-methylphenyl)methyl]-2-(3-oxo-1H-indazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 74248985
4-methyl-2-(2-oxobutyl)phthalazin-1-one
CID 70794390

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 51091584) is N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide is CCN(CC1CCCO1)C(=O)Cn1nc(C)c2ccccc2c1=O.
What is the InChIKey of N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is KUWJBQAPCVJWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-20(11-14-7-6-10-24-14)17(22)12-21-18(23)16-9-5-4-8-15(16)13(2)19-21/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide?
N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 51091584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).