4-acetyl-5-methyl-N-[2-(1-oxophthalazin-2-yl)ethyl]furan-2-carboxamide

C18H17N3O4 — CID 166386699

IUPAC4-acetyl-5-methyl-N-[2-(1-oxophthalazin-2-yl)ethyl]furan-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NCCn2ncc3ccccc3c2=O)oc1C
InChIInChI=1S/C18H17N3O4/c1-11(22)15-9-16(25-12(15)2)17(23)19-7-8-21-18(24)14-6-4-3-5-13(14)10-20-21/h3-6,9-10H,7-8H2,1-2H3,(H,19,23)
InChIKeyRTEZPYZTKDOGEJ-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.93
Rot. Bonds5

About 4-acetyl-5-methyl-N-[2-(1-oxophthalazin-2-yl)ethyl]furan-2-carboxamide

4-acetyl-5-methyl-N-[2-(1-oxophthalazin-2-yl)ethyl]furan-2-carboxamide (PubChem CID 166386699) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 4-acetyl-5-methyl-N-[2-(1-oxophthalazin-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-5-methyl-N-[2-(1-oxophthalazin-2-yl)ethyl]furan-2-carboxamide
PubChem CID166386699
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name4-acetyl-5-methyl-N-[2-(1-oxophthalazin-2-yl)ethyl]furan-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NCCn2ncc3ccccc3c2=O)oc1C
InChIInChI=1S/C18H17N3O4/c1-11(22)15-9-16(25-12(15)2)17(23)19-7-8-21-18(24)14-6-4-3-5-13(14)10-20-21/h3-6,9-10H,7-8H2,1-2H3,(H,19,23)
InChIKeyRTEZPYZTKDOGEJ-UHFFFAOYSA-N
XLogP1.93
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-methyl-N-[2-(1-oxophthalazin-2-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 4-acetyl-5-methyl-N-[2-(1-oxophthalazin-2-yl)ethyl]furan-2-carboxamide (CID 166386699) is 4-acetyl-5-methyl-N-[2-(1-oxophthalazin-2-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 4-acetyl-5-methyl-N-[2-(1-oxophthalazin-2-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 4-acetyl-5-methyl-N-[2-(1-oxophthalazin-2-yl)ethyl]furan-2-carboxamide is CC(=O)c1cc(C(=O)NCCn2ncc3ccccc3c2=O)oc1C.
What is the InChIKey of 4-acetyl-5-methyl-N-[2-(1-oxophthalazin-2-yl)ethyl]furan-2-carboxamide?
The InChIKey is RTEZPYZTKDOGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11(22)15-9-16(25-12(15)2)17(23)19-7-8-21-18(24)14-6-4-3-5-13(14)10-20-21/h3-6,9-10H,7-8H2,1-2H3,(H,19,23).
What are the key properties of 4-acetyl-5-methyl-N-[2-(1-oxophthalazin-2-yl)ethyl]furan-2-carboxamide?
4-acetyl-5-methyl-N-[2-(1-oxophthalazin-2-yl)ethyl]furan-2-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-methyl-N-[2-(1-oxophthalazin-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 166386699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).