(4-methoxyphenyl)methyl 2-[4-[2-(ethylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetate

C22H23N3O5 — CID 142710333

IUPAC(4-methoxyphenyl)methyl 2-[4-[2-(ethylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetate
SMILESCCNC(=O)Cc1nn(CC(=O)OCc2ccc(OC)cc2)c(=O)c2ccccc12
InChIInChI=1S/C22H23N3O5/c1-3-23-20(26)12-19-17-6-4-5-7-18(17)22(28)25(24-19)13-21(27)30-14-15-8-10-16(29-2)11-9-15/h4-11H,3,12-14H2,1-2H3,(H,23,26)
InChIKeyVRHDJSHQWIBIKY-UHFFFAOYSA-N
MW409.44 g/mol
LogP1.83
Rot. Bonds8

About (4-methoxyphenyl)methyl 2-[4-[2-(ethylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetate

(4-methoxyphenyl)methyl 2-[4-[2-(ethylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetate (PubChem CID 142710333) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-[4-[2-(ethylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2-[4-[2-(ethylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetate
PubChem CID142710333
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name(4-methoxyphenyl)methyl 2-[4-[2-(ethylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetate
SMILESCCNC(=O)Cc1nn(CC(=O)OCc2ccc(OC)cc2)c(=O)c2ccccc12
InChIInChI=1S/C22H23N3O5/c1-3-23-20(26)12-19-17-6-4-5-7-18(17)22(28)25(24-19)13-21(27)30-14-15-8-10-16(29-2)11-9-15/h4-11H,3,12-14H2,1-2H3,(H,23,26)
InChIKeyVRHDJSHQWIBIKY-UHFFFAOYSA-N
XLogP1.83
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methoxyphenyl)-N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]acetamide
CID 90490498
ethyl 2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetate
CID 5204002
(4-methoxyphenyl)methyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
CID 61309101
1-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 121048747
ethyl 2-[3-(2-amino-2-sulfanylideneethyl)-4-oxophthalazin-1-yl]acetate
CID 2779137
2-butyl-4-[(4-methoxyphenyl)methyl]phthalazin-1-one
CID 15959123
ethyl 2-(3-ethyl-4-oxophthalazin-1-yl)acetate
CID 872390
ethyl 2-[3-(hydroxymethyl)-4-oxophthalazin-1-yl]acetate
CID 14519538
(4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61285978
1-[(4-methoxyphenyl)methyl]-3-[[4-oxo-3-(pyridin-3-ylmethyl)phthalazin-1-yl]methyl]urea
CID 121049733
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[2-(ethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 9224356

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-[4-[2-(ethylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetate?
The IUPAC name of (4-methoxyphenyl)methyl 2-[4-[2-(ethylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetate (CID 142710333) is (4-methoxyphenyl)methyl 2-[4-[2-(ethylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetate.
What is the SMILES notation for (4-methoxyphenyl)methyl 2-[4-[2-(ethylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetate?
The canonical SMILES for (4-methoxyphenyl)methyl 2-[4-[2-(ethylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetate is CCNC(=O)Cc1nn(CC(=O)OCc2ccc(OC)cc2)c(=O)c2ccccc12.
What is the InChIKey of (4-methoxyphenyl)methyl 2-[4-[2-(ethylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetate?
The InChIKey is VRHDJSHQWIBIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-3-23-20(26)12-19-17-6-4-5-7-18(17)22(28)25(24-19)13-21(27)30-14-15-8-10-16(29-2)11-9-15/h4-11H,3,12-14H2,1-2H3,(H,23,26).
What are the key properties of (4-methoxyphenyl)methyl 2-[4-[2-(ethylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetate?
(4-methoxyphenyl)methyl 2-[4-[2-(ethylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetate has a molecular weight of 409.44 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 2-[4-[2-(ethylamino)-2-oxoethyl]-1-oxophthalazin-2-yl]acetate is sourced from PubChem (CID 142710333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).