N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C18H24N4O3 — CID 166188485

IUPACN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCOCCN1CCCC1CNC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H24N4O3/c1-25-10-9-22-8-4-5-13(22)12-19-17(23)11-16-14-6-2-3-7-15(14)18(24)21-20-16/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,19,23)(H,21,24)
InChIKeyLGVFOMCYNASRRM-UHFFFAOYSA-N
MW344.41 g/mol
LogP0.69
Rot. Bonds7

About N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 166188485) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID166188485
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC NameN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCOCCN1CCCC1CNC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H24N4O3/c1-25-10-9-22-8-4-5-13(22)12-19-17(23)11-16-14-6-2-3-7-15(14)18(24)21-20-16/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,19,23)(H,21,24)
InChIKeyLGVFOMCYNASRRM-UHFFFAOYSA-N
XLogP0.69
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 95329398
2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 95296221
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide
CID 71708054
2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 120596413
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-pyridin-2-ylpiperidine-1-carboxamide
CID 154799785
2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 42957552
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251515
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119874871
2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734356
5-(4-hydroxyphenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 75424513
3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride
CID 119874866

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 166188485) is N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is COCCN1CCCC1CNC(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is LGVFOMCYNASRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-25-10-9-22-8-4-5-13(22)12-19-17(23)11-16-14-6-2-3-7-15(14)18(24)21-20-16/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,19,23)(H,21,24).
What are the key properties of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 344.41 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 166188485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).