N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]propanamide

C19H19N3O3 — CID 751867

IUPACN-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1OC
InChIInChI=1S/C19H19N3O3/c1-4-17(23)20-15-11-12(9-10-16(15)25-3)18-13-7-5-6-8-14(13)19(24)22(2)21-18/h5-11H,4H2,1-3H3,(H,20,23)
InChIKeyMFOXHRJJDNKHBJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.96
Rot. Bonds4

About N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]propanamide

N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]propanamide (PubChem CID 751867) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]propanamide
PubChem CID751867
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1OC
InChIInChI=1S/C19H19N3O3/c1-4-17(23)20-15-11-12(9-10-16(15)25-3)18-13-7-5-6-8-14(13)19(24)22(2)21-18/h5-11H,4H2,1-3H3,(H,20,23)
InChIKeyMFOXHRJJDNKHBJ-UHFFFAOYSA-N
XLogP2.96
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]propanamide?
The IUPAC name of N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]propanamide (CID 751867) is N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]propanamide.
What is the SMILES notation for N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]propanamide?
The canonical SMILES for N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]propanamide is CCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1OC.
What is the InChIKey of N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]propanamide?
The InChIKey is MFOXHRJJDNKHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-4-17(23)20-15-11-12(9-10-16(15)25-3)18-13-7-5-6-8-14(13)19(24)22(2)21-18/h5-11H,4H2,1-3H3,(H,20,23).
What are the key properties of N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]propanamide?
N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]propanamide has a molecular weight of 337.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 751867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).