2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]acetamide

C22H21N5O3 — CID 16671484

IUPAC2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]acetamide
SMILESCC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C22H21N5O3/c1-2-15(13-27-22(30)16-8-4-3-7-14(16)12-23-27)24-20(28)11-19-17-9-5-6-10-18(17)21(29)26-25-19/h3-10,12,15H,2,11,13H2,1H3,(H,24,28)(H,26,29)/t15-/m1/s1
InChIKeyYDGSXTIJWQUQSM-OAHLLOKOSA-N
MW403.44 g/mol
LogP1.77
Rot. Bonds6

About 2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]acetamide

2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]acetamide (PubChem CID 16671484) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]acetamide
PubChem CID16671484
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]acetamide
SMILESCC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C22H21N5O3/c1-2-15(13-27-22(30)16-8-4-3-7-14(16)12-23-27)24-20(28)11-19-17-9-5-6-10-18(17)21(29)26-25-19/h3-10,12,15H,2,11,13H2,1H3,(H,24,28)(H,26,29)/t15-/m1/s1
InChIKeyYDGSXTIJWQUQSM-OAHLLOKOSA-N
XLogP1.77
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
CID 46966888
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CID 62041212
N-[(2S)-1-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butan-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 46961289
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 91822227
3-methyl-N-[(2S)-1-(1-oxophthalazin-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide
CID 95791863
N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 91820903
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
2-[2-(methylamino)pentyl]phthalazin-1-one
CID 62044061
5-methyl-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46959032
N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 36573611
N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
1,3-dimethyl-2-oxo-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]benzimidazole-5-carboxamide
CID 16671546

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]acetamide?
The IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]acetamide (CID 16671484) is 2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]acetamide?
The canonical SMILES for 2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]acetamide is CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]acetamide?
The InChIKey is YDGSXTIJWQUQSM-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-2-15(13-27-22(30)16-8-4-3-7-14(16)12-23-27)24-20(28)11-19-17-9-5-6-10-18(17)21(29)26-25-19/h3-10,12,15H,2,11,13H2,1H3,(H,24,28)(H,26,29)/t15-/m1/s1.
What are the key properties of 2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]acetamide?
2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]acetamide has a molecular weight of 403.44 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3H-phthalazin-1-yl)-N-[(2R)-1-(1-oxophthalazin-2-yl)butan-2-yl]acetamide is sourced from PubChem (CID 16671484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).