N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C18H17N3O3 — CID 758936

IUPACN-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C18H17N3O3/c1-21-18(23)15-6-4-3-5-14(15)16(20-21)11-17(22)19-12-7-9-13(24-2)10-8-12/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyOLBJIULZJKWFBM-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.12
Rot. Bonds4

About N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 758936) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID758936
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C18H17N3O3/c1-21-18(23)15-6-4-3-5-14(15)16(20-21)11-17(22)19-12-7-9-13(24-2)10-8-12/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyOLBJIULZJKWFBM-UHFFFAOYSA-N
XLogP2.12
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10135552
4-[(4-methoxyanilino)methyl]-1(2H)-phthalazinone
CID 1482305
N-(4-chloro-3-methoxy-phenyl)-2-(3-methyl-4-oxo-phthalazin-1-yl)acetamide
CID 71552169
N-(4-methoxyphenyl)-2-methylbenzamide
CID 531865
N-(4-methoxyphenyl)naphthalene-1-carboxamide
CID 532201
O-Tolu-P-phenetidide
CID 710558
4-[(4-Methoxyanilino)methylidene]-2-(4-methoxyphenyl)isoquinoline-1,3-dione
CID 2866203
N-(1,3-benzodioxol-5-yl)-3-butyl-4-oxophthalazine-1-carboxamide
CID 2409944
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9419018
N-(4-methoxyphenyl)-4-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)benzamide
CID 1087197
2-Methoxy-5-[[4-(3-methyl-4-oxophthalazin-1-yl)benzoyl]amino]benzamide
CID 1292688
2-methoxy-N-methyl-5-{[3-(1-oxo-4-phenylphthalazin-2(1H)-yl)propanoyl]amino}benzamide
CID 1887616

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 758936) is N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is COc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is OLBJIULZJKWFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-21-18(23)15-6-4-3-5-14(15)16(20-21)11-17(22)19-12-7-9-13(24-2)10-8-12/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 758936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).