2-(1-aminocyclobutyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide

C14H16N4O3 — CID 79842932

IUPAC2-(1-aminocyclobutyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide
SMILESNC1(CC(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)CCC1
InChIInChI=1S/C14H16N4O3/c15-14(5-2-6-14)7-10(19)16-9-4-1-3-8-11(9)13(21)18-17-12(8)20/h1,3-4H,2,5-7,15H2,(H,16,19)(H,17,20)(H,18,21)
InChIKeyGKOWTUDVALETEU-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.43
Rot. Bonds3

About 2-(1-aminocyclobutyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide

2-(1-aminocyclobutyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide (PubChem CID 79842932) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide
PubChem CID79842932
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-(1-aminocyclobutyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide
SMILESNC1(CC(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)CCC1
InChIInChI=1S/C14H16N4O3/c15-14(5-2-6-14)7-10(19)16-9-4-1-3-8-11(9)13(21)18-17-12(8)20/h1,3-4H,2,5-7,15H2,(H,16,19)(H,17,20)(H,18,21)
InChIKeyGKOWTUDVALETEU-UHFFFAOYSA-N
XLogP0.43
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide (CID 79842932) is 2-(1-aminocyclobutyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide is NC1(CC(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide?
The InChIKey is GKOWTUDVALETEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c15-14(5-2-6-14)7-10(19)16-9-4-1-3-8-11(9)13(21)18-17-12(8)20/h1,3-4H,2,5-7,15H2,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of 2-(1-aminocyclobutyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide?
2-(1-aminocyclobutyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide has a molecular weight of 288.31 g/mol, XLogP of 0.43, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide is sourced from PubChem (CID 79842932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).