N-benzyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C18H17N3O2 — CID 589822

IUPACN-benzyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NCc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C18H17N3O2/c1-13-15-9-5-6-10-16(15)18(23)21(20-13)12-17(22)19-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyXQSHUJGQHWBKTF-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.02
Rot. Bonds4

About N-benzyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-benzyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 589822) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-benzyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID589822
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-benzyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCc1nn(CC(=O)NCc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C18H17N3O2/c1-13-15-9-5-6-10-16(15)18(23)21(20-13)12-17(22)19-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyXQSHUJGQHWBKTF-UHFFFAOYSA-N
XLogP2.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 589822) is N-benzyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is Cc1nn(CC(=O)NCc2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N-benzyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is XQSHUJGQHWBKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-15-9-5-6-10-16(15)18(23)21(20-13)12-17(22)19-11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of N-benzyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-benzyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 307.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 589822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).