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

C20H21N3O3 — CID 662701

IUPACN-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1OC
InChIInChI=1S/C20H21N3O3/c1-4-7-18(24)21-16-12-13(10-11-17(16)26-3)19-14-8-5-6-9-15(14)20(25)23(2)22-19/h5-6,8-12H,4,7H2,1-3H3,(H,21,24)
InChIKeyDGZJDPULZMYSCI-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.35
Rot. Bonds5

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

N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]butanamide (PubChem CID 662701) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]butanamide
PubChem CID662701
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1OC
InChIInChI=1S/C20H21N3O3/c1-4-7-18(24)21-16-12-13(10-11-17(16)26-3)19-14-8-5-6-9-15(14)20(25)23(2)22-19/h5-6,8-12H,4,7H2,1-3H3,(H,21,24)
InChIKeyDGZJDPULZMYSCI-UHFFFAOYSA-N
XLogP3.35
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.35
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]butanamide?
The IUPAC name of N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]butanamide (CID 662701) is N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]butanamide.
What is the SMILES notation for N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]butanamide?
The canonical SMILES for N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]butanamide is CCCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1OC.
What is the InChIKey of N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]butanamide?
The InChIKey is DGZJDPULZMYSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-4-7-18(24)21-16-12-13(10-11-17(16)26-3)19-14-8-5-6-9-15(14)20(25)23(2)22-19/h5-6,8-12H,4,7H2,1-3H3,(H,21,24).
What are the key properties of N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]butanamide?
N-[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]butanamide has a molecular weight of 351.41 g/mol, XLogP of 3.35, 5 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]butanamide is sourced from PubChem (CID 662701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).