N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide

C20H28N4O2 — CID 71708054

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide
SMILESCCN1CCCC1CNC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12
InChIInChI=1S/C20H28N4O2/c1-4-23-11-7-8-15(23)13-21-19(25)12-18-16-9-5-6-10-17(16)20(26)24(22-18)14(2)3/h5-6,9-10,14-15H,4,7-8,11-13H2,1-3H3,(H,21,25)
InChIKeyTYLLTWLVJJKBNN-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.12
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide (PubChem CID 71708054) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide
PubChem CID71708054
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide
SMILESCCN1CCCC1CNC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12
InChIInChI=1S/C20H28N4O2/c1-4-23-11-7-8-15(23)13-21-19(25)12-18-16-9-5-6-10-17(16)20(26)24(22-18)14(2)3/h5-6,9-10,14-15H,4,7-8,11-13H2,1-3H3,(H,21,25)
InChIKeyTYLLTWLVJJKBNN-UHFFFAOYSA-N
XLogP2.12
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide with MolForge

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Related Compounds

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide
CID 71754041
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 9087740
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166188485
1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
CID 92706705
2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 94003929
2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 63589407
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 61399758
(2R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 98789122
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylpropanamide
CID 70678323
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 24706556
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 95329398

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide (CID 71708054) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide is CCN1CCCC1CNC(=O)Cc1nn(C(C)C)c(=O)c2ccccc12.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide?
The InChIKey is TYLLTWLVJJKBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-4-23-11-7-8-15(23)13-21-19(25)12-18-16-9-5-6-10-17(16)20(26)24(22-18)14(2)3/h5-6,9-10,14-15H,4,7-8,11-13H2,1-3H3,(H,21,25).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide has a molecular weight of 356.47 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-oxo-3-propan-2-ylphthalazin-1-yl)acetamide is sourced from PubChem (CID 71708054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).