3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyphenyl)-N-methylpropanamide

C19H19N3O4 — CID 55887496

IUPAC3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccccc1N(C)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C19H19N3O4/c1-21(15-9-5-6-10-16(15)26-2)17(23)11-12-22-19(25)14-8-4-3-7-13(14)18(24)20-22/h3-10H,11-12H2,1-2H3,(H,20,24)
InChIKeyLWBAIJHOWSCSDV-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.75
Rot. Bonds5

About 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyphenyl)-N-methylpropanamide

3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyphenyl)-N-methylpropanamide (PubChem CID 55887496) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyphenyl)-N-methylpropanamide
PubChem CID55887496
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccccc1N(C)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C19H19N3O4/c1-21(15-9-5-6-10-16(15)26-2)17(23)11-12-22-19(25)14-8-4-3-7-13(14)18(24)20-22/h3-10H,11-12H2,1-2H3,(H,20,24)
InChIKeyLWBAIJHOWSCSDV-UHFFFAOYSA-N
XLogP1.75
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methylpropanamide
CID 95132698
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 40723461
3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
3-(1,4-dioxo-3H-phthalazin-2-yl)propanoic acid
CID 931527
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 55968642
methyl 4-(1,4-dioxo-3H-phthalazin-2-yl)butanoate
CID 43378338
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 18195079
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442716
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51212481
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethyl-N-(2-methylsulfanylethyl)propanamide
CID 166239918
2-[butan-2-yl-[3-(1,4-dioxo-3H-phthalazin-2-yl)propanoyl]amino]acetic acid
CID 119955260
N-(3-amino-4-methylpentyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)-N-methylpropanamide;hydrochloride
CID 119659171

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyphenyl)-N-methylpropanamide (CID 55887496) is 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyphenyl)-N-methylpropanamide is COc1ccccc1N(C)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O.
What is the InChIKey of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyphenyl)-N-methylpropanamide?
The InChIKey is LWBAIJHOWSCSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-21(15-9-5-6-10-16(15)26-2)17(23)11-12-22-19(25)14-8-4-3-7-13(14)18(24)20-22/h3-10H,11-12H2,1-2H3,(H,20,24).
What are the key properties of 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyphenyl)-N-methylpropanamide?
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyphenyl)-N-methylpropanamide has a molecular weight of 353.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 55887496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).