N-[2-(7-methoxyphthalazin-1-yl)ethyl]acetamide

C13H15N3O2 — CID 162658247

IUPACN-[2-(7-methoxyphthalazin-1-yl)ethyl]acetamide
SMILESCOc1ccc2cnnc(CCNC(C)=O)c2c1
InChIInChI=1S/C13H15N3O2/c1-9(17)14-6-5-13-12-7-11(18-2)4-3-10(12)8-15-16-13/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)
InChIKeyLEVHDUNLNSSKET-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.32
Rot. Bonds4

About N-[2-(7-methoxyphthalazin-1-yl)ethyl]acetamide

N-[2-(7-methoxyphthalazin-1-yl)ethyl]acetamide (PubChem CID 162658247) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[2-(7-methoxyphthalazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-methoxyphthalazin-1-yl)ethyl]acetamide
PubChem CID162658247
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[2-(7-methoxyphthalazin-1-yl)ethyl]acetamide
SMILESCOc1ccc2cnnc(CCNC(C)=O)c2c1
InChIInChI=1S/C13H15N3O2/c1-9(17)14-6-5-13-12-7-11(18-2)4-3-10(12)8-15-16-13/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)
InChIKeyLEVHDUNLNSSKET-UHFFFAOYSA-N
XLogP1.32
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxyphthalazin-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(7-methoxyphthalazin-1-yl)ethyl]acetamide (CID 162658247) is N-[2-(7-methoxyphthalazin-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(7-methoxyphthalazin-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(7-methoxyphthalazin-1-yl)ethyl]acetamide is COc1ccc2cnnc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(7-methoxyphthalazin-1-yl)ethyl]acetamide?
The InChIKey is LEVHDUNLNSSKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(17)14-6-5-13-12-7-11(18-2)4-3-10(12)8-15-16-13/h3-4,7-8H,5-6H2,1-2H3,(H,14,17).
What are the key properties of N-[2-(7-methoxyphthalazin-1-yl)ethyl]acetamide?
N-[2-(7-methoxyphthalazin-1-yl)ethyl]acetamide has a molecular weight of 245.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxyphthalazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 162658247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).