N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide

C14H17N3O2 — CID 9369051

IUPACN-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
SMILESCC(C)CNC(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C14H17N3O2/c1-10(2)7-15-13(18)9-17-14(19)12-6-4-3-5-11(12)8-16-17/h3-6,8,10H,7,9H2,1-2H3,(H,15,18)
InChIKeyUBTVOMZJNCVFBV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.17
Rot. Bonds4

About N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide

N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 9369051) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID9369051
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
SMILESCC(C)CNC(=O)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C14H17N3O2/c1-10(2)7-15-13(18)9-17-14(19)12-6-4-3-5-11(12)8-16-17/h3-6,8,10H,7,9H2,1-2H3,(H,15,18)
InChIKeyUBTVOMZJNCVFBV-UHFFFAOYSA-N
XLogP1.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide (CID 9369051) is N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide is CC(C)CNC(=O)Cn1ncc2ccccc2c1=O.
What is the InChIKey of N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is UBTVOMZJNCVFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(2)7-15-13(18)9-17-14(19)12-6-4-3-5-11(12)8-16-17/h3-6,8,10H,7,9H2,1-2H3,(H,15,18).
What are the key properties of N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide?
N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 9369051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).