2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide

C22H24N4O6 — CID 45370778

IUPAC2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)C(C)NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C22H24N4O6/c1-12(21(28)24-13-9-17(30-2)20(32-4)18(10-13)31-3)23-19(27)11-16-14-7-5-6-8-15(14)22(29)26-25-16/h5-10,12H,11H2,1-4H3,(H,23,27)(H,24,28)(H,26,29)
InChIKeyYHPFXZBAQLXLDT-UHFFFAOYSA-N
MW440.46 g/mol
LogP1.63
Rot. Bonds8

About 2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide

2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 45370778) has the molecular formula C22H24N4O6 and a molecular weight of 440.46 g/mol. Its IUPAC name is 2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID45370778
Molecular FormulaC22H24N4O6
Molecular Weight440.46 g/mol
Exact Mass440.17
IUPAC Name2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)C(C)NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C22H24N4O6/c1-12(21(28)24-13-9-17(30-2)20(32-4)18(10-13)31-3)23-19(27)11-16-14-7-5-6-8-15(14)22(29)26-25-16/h5-10,12H,11H2,1-4H3,(H,23,27)(H,24,28)(H,26,29)
InChIKeyYHPFXZBAQLXLDT-UHFFFAOYSA-N
XLogP1.63
TPSA131.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide with MolForge

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Related Compounds

ethyl 3-[2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoylamino]benzoate
CID 45370274
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 46432138
2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 45371525
N-(3-acetamido-4-methoxyphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 24668281
2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734356
N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 91820903
N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52996120
N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17416824
[2-(2-methoxyanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251522
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789862
4-methoxy-N'-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]benzohydrazide
CID 21213715

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide (CID 45370778) is 2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)C(C)NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc(OC)c1OC.
What is the InChIKey of 2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is YHPFXZBAQLXLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6/c1-12(21(28)24-13-9-17(30-2)20(32-4)18(10-13)31-3)23-19(27)11-16-14-7-5-6-8-15(14)22(29)26-25-16/h5-10,12H,11H2,1-4H3,(H,23,27)(H,24,28)(H,26,29).
What are the key properties of 2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide?
2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 440.46 g/mol, XLogP of 1.63, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 45370778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).