N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide

C26H25N3O4 — CID 20970828

IUPACN-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide
SMILESCCOc1ccc(-n2nc(C(=O)N(C)c3ccccc3OCC)c3ccccc3c2=O)cc1
InChIInChI=1S/C26H25N3O4/c1-4-32-19-16-14-18(15-17-19)29-25(30)21-11-7-6-10-20(21)24(27-29)26(31)28(3)22-12-8-9-13-23(22)33-5-2/h6-17H,4-5H2,1-3H3
InChIKeyQSUZDRLNFTZADW-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.46
Rot. Bonds7

About N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide

N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 20970828) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide
PubChem CID20970828
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC NameN-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide
SMILESCCOc1ccc(-n2nc(C(=O)N(C)c3ccccc3OCC)c3ccccc3c2=O)cc1
InChIInChI=1S/C26H25N3O4/c1-4-32-19-16-14-18(15-17-19)29-25(30)21-11-7-6-10-20(21)24(27-29)26(31)28(3)22-12-8-9-13-23(22)33-5-2/h6-17H,4-5H2,1-3H3
InChIKeyQSUZDRLNFTZADW-UHFFFAOYSA-N
XLogP4.46
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide (CID 20970828) is N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide is CCOc1ccc(-n2nc(C(=O)N(C)c3ccccc3OCC)c3ccccc3c2=O)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is QSUZDRLNFTZADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-4-32-19-16-14-18(15-17-19)29-25(30)21-11-7-6-10-20(21)24(27-29)26(31)28(3)22-12-8-9-13-23(22)33-5-2/h6-17H,4-5H2,1-3H3.
What are the key properties of N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide?
N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-(4-ethoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 20970828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).