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

C18H17N3O2 — CID 110734350

IUPAC2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
SMILESCc1ccccc1CC(=O)NCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H17N3O2/c1-12-6-2-3-7-13(12)10-17(22)19-11-16-14-8-4-5-9-15(14)18(23)21-20-16/h2-9H,10-11H2,1H3,(H,19,22)(H,21,23)
InChIKeyIDBAJJPLEMGMFK-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.09
Rot. Bonds4

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

2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide (PubChem CID 110734350) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
PubChem CID110734350
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
SMILESCc1ccccc1CC(=O)NCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H17N3O2/c1-12-6-2-3-7-13(12)10-17(22)19-11-16-14-8-4-5-9-15(14)18(23)21-20-16/h2-9H,10-11H2,1H3,(H,19,22)(H,21,23)
InChIKeyIDBAJJPLEMGMFK-UHFFFAOYSA-N
XLogP2.09
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734356
3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185876
(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 7626374
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
4-[(2-methylanilino)methyl]-2H-phthalazin-1-one
CID 20850439
2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185897
1-(2,2-dimethylpropyl)-3-[(4-oxo-3H-phthalazin-1-yl)methyl]urea
CID 110749124
N-[(4-oxo-3H-phthalazin-1-yl)methyl]cyclopropanecarboxamide
CID 6852112
N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 171679416
ethyl 2-[[2-oxo-2-[(4-oxo-3H-phthalazin-1-yl)methylamino]acetyl]amino]acetate
CID 43996615
(2R)-2-(2,5-dimethylphenoxy)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 95045989
2-(dimethylamino)-2-(4-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 50956198

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide (CID 110734350) is 2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide is Cc1ccccc1CC(=O)NCc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide?
The InChIKey is IDBAJJPLEMGMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12-6-2-3-7-13(12)10-17(22)19-11-16-14-8-4-5-9-15(14)18(23)21-20-16/h2-9H,10-11H2,1H3,(H,19,22)(H,21,23).
What are the key properties of 2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide?
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide is sourced from PubChem (CID 110734350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).