N-[2-(4-methoxyphenyl)ethyl]-2-phthalazin-1-yloxyacetamide

C19H19N3O3 — CID 6409395

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-phthalazin-1-yloxyacetamide
SMILESCOc1ccc(CCNC(=O)COc2nncc3ccccc23)cc1
InChIInChI=1S/C19H19N3O3/c1-24-16-8-6-14(7-9-16)10-11-20-18(23)13-25-19-17-5-3-2-4-15(17)12-21-22-19/h2-9,12H,10-11,13H2,1H3,(H,20,23)
InChIKeySBOJTVGLSUSSRW-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.38
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-2-phthalazin-1-yloxyacetamide

N-[2-(4-methoxyphenyl)ethyl]-2-phthalazin-1-yloxyacetamide (PubChem CID 6409395) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-phthalazin-1-yloxyacetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-phthalazin-1-yloxyacetamide
PubChem CID6409395
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-phthalazin-1-yloxyacetamide
SMILESCOc1ccc(CCNC(=O)COc2nncc3ccccc23)cc1
InChIInChI=1S/C19H19N3O3/c1-24-16-8-6-14(7-9-16)10-11-20-18(23)13-25-19-17-5-3-2-4-15(17)12-21-22-19/h2-9,12H,10-11,13H2,1H3,(H,20,23)
InChIKeySBOJTVGLSUSSRW-UHFFFAOYSA-N
XLogP2.38
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-phthalazin-1-yloxyacetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-phthalazin-1-yloxyacetamide (CID 6409395) is N-[2-(4-methoxyphenyl)ethyl]-2-phthalazin-1-yloxyacetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-phthalazin-1-yloxyacetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-phthalazin-1-yloxyacetamide is COc1ccc(CCNC(=O)COc2nncc3ccccc23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-phthalazin-1-yloxyacetamide?
The InChIKey is SBOJTVGLSUSSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-16-8-6-14(7-9-16)10-11-20-18(23)13-25-19-17-5-3-2-4-15(17)12-21-22-19/h2-9,12H,10-11,13H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-phthalazin-1-yloxyacetamide?
N-[2-(4-methoxyphenyl)ethyl]-2-phthalazin-1-yloxyacetamide has a molecular weight of 337.38 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-phthalazin-1-yloxyacetamide is sourced from PubChem (CID 6409395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).