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

C25H23N3O4 — CID 4670317

IUPACN-(2-ethoxyphenyl)-3-(4-methoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide
SMILESCCOc1ccccc1N(C)C(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2ccccc12
InChIInChI=1S/C25H23N3O4/c1-4-32-22-12-8-7-11-21(22)27(2)25(30)23-19-9-5-6-10-20(19)24(29)28(26-23)17-13-15-18(31-3)16-14-17/h5-16H,4H2,1-3H3
InChIKeyHJHSBPAIFIFKKD-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.07
Rot. Bonds6

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

N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 4670317) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-(4-methoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide
PubChem CID4670317
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-(2-ethoxyphenyl)-3-(4-methoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide
SMILESCCOc1ccccc1N(C)C(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2ccccc12
InChIInChI=1S/C25H23N3O4/c1-4-32-22-12-8-7-11-21(22)27(2)25(30)23-19-9-5-6-10-20(19)24(29)28(26-23)17-13-15-18(31-3)16-14-17/h5-16H,4H2,1-3H3
InChIKeyHJHSBPAIFIFKKD-UHFFFAOYSA-N
XLogP4.07
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.07
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-methoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide (CID 4670317) is N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide is CCOc1ccccc1N(C)C(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2ccccc12.
What is the InChIKey of N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is HJHSBPAIFIFKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-4-32-22-12-8-7-11-21(22)27(2)25(30)23-19-9-5-6-10-20(19)24(29)28(26-23)17-13-15-18(31-3)16-14-17/h5-16H,4H2,1-3H3.
What are the key properties of N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide?
N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 4.07, 6 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-methoxyphenyl)-N-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 4670317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).