2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide

C18H17N3O3 — CID 110734356

IUPAC2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
SMILESCOc1ccccc1CC(=O)NCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H17N3O3/c1-24-16-9-5-2-6-12(16)10-17(22)19-11-15-13-7-3-4-8-14(13)18(23)21-20-15/h2-9H,10-11H2,1H3,(H,19,22)(H,21,23)
InChIKeyCWRRMPUQNNILDP-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.79
Rot. Bonds5

About 2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide

2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide (PubChem CID 110734356) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
PubChem CID110734356
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
SMILESCOc1ccccc1CC(=O)NCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H17N3O3/c1-24-16-9-5-2-6-12(16)10-17(22)19-11-15-13-7-3-4-8-14(13)18(23)21-20-15/h2-9H,10-11H2,1H3,(H,19,22)(H,21,23)
InChIKeyCWRRMPUQNNILDP-UHFFFAOYSA-N
XLogP1.79
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 7626374
[2-(2-methoxyanilino)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251522
5-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrazolidine-3-carboxamide
CID 133108835
N'-(2,2-dimethoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide
CID 27440534
N',N'-bis(2-methoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide
CID 43996590
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]pyrrolidine-3-carboxamide
CID 7626487
3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185876
2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185897
3-(4-fluorophenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 110734347
1-(2,2-dimethylpropyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
CID 110749124

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide (CID 110734356) is 2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide is COc1ccccc1CC(=O)NCc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide?
The InChIKey is CWRRMPUQNNILDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-24-16-9-5-2-6-12(16)10-17(22)19-11-15-13-7-3-4-8-14(13)18(23)21-20-15/h2-9H,10-11H2,1H3,(H,19,22)(H,21,23).
What are the key properties of 2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide?
2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide has a molecular weight of 323.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide is sourced from PubChem (CID 110734356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).