3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide

C20H21N3O6 — CID 40723461

IUPAC3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)cc(OC)c1OC
InChIInChI=1S/C20H21N3O6/c1-27-15-10-12(11-16(28-2)18(15)29-3)21-17(24)8-9-23-20(26)14-7-5-4-6-13(14)19(25)22-23/h4-7,10-11H,8-9H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyGNZQZOTXEOFWLL-UHFFFAOYSA-N
MW399.40 g/mol
LogP1.74
Rot. Bonds7

About 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide

3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 40723461) has the molecular formula C20H21N3O6 and a molecular weight of 399.40 g/mol. Its IUPAC name is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID40723461
Molecular FormulaC20H21N3O6
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)cc(OC)c1OC
InChIInChI=1S/C20H21N3O6/c1-27-15-10-12(11-16(28-2)18(15)29-3)21-17(24)8-9-23-20(26)14-7-5-4-6-13(14)19(25)22-23/h4-7,10-11H,8-9H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyGNZQZOTXEOFWLL-UHFFFAOYSA-N
XLogP1.74
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-difluorophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 24530023
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 40671962
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 36544756
N-[4-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 78804551
N-(3-cyanophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 40671948
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 51116034
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51212481
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
butyl 4-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoylamino]benzoate
CID 27844184
N-(2-anilinophenyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 112773070
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 37246021
3-(1,4-dioxo-3H-phthalazin-2-yl)propanoic acid
CID 931527

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide (CID 40723461) is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)cc(OC)c1OC.
What is the InChIKey of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is GNZQZOTXEOFWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6/c1-27-15-10-12(11-16(28-2)18(15)29-3)21-17(24)8-9-23-20(26)14-7-5-4-6-13(14)19(25)22-23/h4-7,10-11H,8-9H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide?
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 399.40 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 40723461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).