N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide

C17H15N3O4 — CID 110734418

IUPACN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C17H15N3O4/c21-14(9-10-24-11-5-2-1-3-6-11)18-13-8-4-7-12-15(13)17(23)20-19-16(12)22/h1-8H,9-10H2,(H,18,21)(H,19,22)(H,20,23)
InChIKeyDJVCSTLHBBBZHW-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.62
Rot. Bonds5

About N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide

N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide (PubChem CID 110734418) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide
PubChem CID110734418
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C17H15N3O4/c21-14(9-10-24-11-5-2-1-3-6-11)18-13-8-4-7-12-15(13)17(23)20-19-16(12)22/h1-8H,9-10H2,(H,18,21)(H,19,22)(H,20,23)
InChIKeyDJVCSTLHBBBZHW-UHFFFAOYSA-N
XLogP1.62
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 48735974
4-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide
CID 60651857
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide
CID 110734458
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide
CID 24709508
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-oxobutanamide
CID 21449705
N-(2-iodophenyl)-3-phenoxypropanamide
CID 26087738
1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea
CID 27190754
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(2-methoxyphenoxy)acetamide
CID 110734424
3-phenoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19168027
N-[2-(1-hydroxyethyl)phenyl]-3-phenoxypropanamide
CID 43508522

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide?
The IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide (CID 110734418) is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide.
What is the SMILES notation for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide?
The canonical SMILES for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide?
The InChIKey is DJVCSTLHBBBZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c21-14(9-10-24-11-5-2-1-3-6-11)18-13-8-4-7-12-15(13)17(23)20-19-16(12)22/h1-8H,9-10H2,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide?
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide has a molecular weight of 325.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide is sourced from PubChem (CID 110734418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).