N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C17H19N3O2 — CID 36573611

IUPACN-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NC(C1CC1)C1CC1
InChIInChI=1S/C17H19N3O2/c21-15(18-16(10-5-6-10)11-7-8-11)9-14-12-3-1-2-4-13(12)17(22)20-19-14/h1-4,10-11,16H,5-9H2,(H,18,21)(H,20,22)
InChIKeyKWGPIKHLBPBQSM-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.77
Rot. Bonds5

About N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 36573611) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID36573611
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NC(C1CC1)C1CC1
InChIInChI=1S/C17H19N3O2/c21-15(18-16(10-5-6-10)11-7-8-11)9-14-12-3-1-2-4-13(12)17(22)20-19-14/h1-4,10-11,16H,5-9H2,(H,18,21)(H,20,22)
InChIKeyKWGPIKHLBPBQSM-UHFFFAOYSA-N
XLogP1.77
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166234080
N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52996120
(2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid
CID 133269517
2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
CID 46966888
N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17416824
N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 91820903
2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 42957552
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 91822227
N-naphthalen-1-yl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17403437
N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 34078536

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 36573611) is N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is KWGPIKHLBPBQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-15(18-16(10-5-6-10)11-7-8-11)9-14-12-3-1-2-4-13(12)17(22)20-19-14/h1-4,10-11,16H,5-9H2,(H,18,21)(H,20,22).
What are the key properties of N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 297.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 36573611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).