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

C13H15N3O3 — CID 47113059

IUPACN-methoxy-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCON(C)C(=O)Cc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C13H15N3O3/c1-15-13(18)10-7-5-4-6-9(10)11(14-15)8-12(17)16(2)19-3/h4-7H,8H2,1-3H3
InChIKeyQYXJUJNRWBJACC-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.50
Rot. Bonds3

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

N-methoxy-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 47113059) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID47113059
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-methoxy-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCON(C)C(=O)Cc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C13H15N3O3/c1-15-13(18)10-7-5-4-6-9(10)11(14-15)8-12(17)16(2)19-3/h4-7H,8H2,1-3H3
InChIKeyQYXJUJNRWBJACC-UHFFFAOYSA-N
XLogP0.50
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]acetic acid
CID 119136397
3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 119207580
4-ethyl-2-methylphthalazin-1-one
CID 58923354
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 9393446
4-(aminomethyl)-2-methylphthalazin-1-one
CID 589800
N-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide
CID 120886672
N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17400514
N-(4-ethoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 7578327
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55584012
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55594340
N-(3,5-difluoro-4-methoxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 71890002
tert-butyl N-[(3-methyl-4-oxophthalazin-1-yl)methyl]carbamate
CID 71779480

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-methoxy-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 47113059) is N-methoxy-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-methoxy-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-methoxy-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is CON(C)C(=O)Cc1nn(C)c(=O)c2ccccc12.
What is the InChIKey of N-methoxy-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is QYXJUJNRWBJACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-15-13(18)10-7-5-4-6-9(10)11(14-15)8-12(17)16(2)19-3/h4-7H,8H2,1-3H3.
What are the key properties of N-methoxy-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-methoxy-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 261.28 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 47113059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).