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

C18H17N3O4 — CID 110734435

IUPACN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C18H17N3O4/c1-25-14-8-3-2-5-11(14)9-10-15(22)19-13-7-4-6-12-16(13)18(24)21-20-17(12)23/h2-8H,9-10H2,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyBNLDVAXJCQKJCC-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.80
Rot. Bonds5

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

N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(2-methoxyphenyl)propanamide (PubChem CID 110734435) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(2-methoxyphenyl)propanamide
PubChem CID110734435
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C18H17N3O4/c1-25-14-8-3-2-5-11(14)9-10-15(22)19-13-7-4-6-12-16(13)18(24)21-20-17(12)23/h2-8H,9-10H2,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyBNLDVAXJCQKJCC-UHFFFAOYSA-N
XLogP1.80
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.80
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-methoxyphenoxy)acetamide
CID 110734424
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)propanamide
CID 26694107
methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 17360384
N-(2-benzylphenyl)-3-(2-methoxyphenyl)propanamide
CID 8023813
N-(2,6-diethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 51143891
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide
CID 110734418
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-3-(2-methoxyphenyl)propanamide
CID 59579676
4-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide
CID 60651857
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

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(2-methoxyphenyl)propanamide (CID 110734435) is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(2-methoxyphenyl)propanamide?
The InChIKey is BNLDVAXJCQKJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-25-14-8-3-2-5-11(14)9-10-15(22)19-13-7-4-6-12-16(13)18(24)21-20-17(12)23/h2-8H,9-10H2,1H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(2-methoxyphenyl)propanamide?
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(2-methoxyphenyl)propanamide has a molecular weight of 339.35 g/mol, XLogP of 1.80, 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-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 110734435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).