N-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C15H20N4O2 — CID 120831381

IUPACN-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCNC(C)CNC(=O)Cc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C15H20N4O2/c1-10(16-2)9-17-14(20)8-13-11-6-4-5-7-12(11)15(21)19(3)18-13/h4-7,10,16H,8-9H2,1-3H3,(H,17,20)
InChIKeyRNDLUXYZRHEZKZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.20
Rot. Bonds5

About N-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 120831381) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID120831381
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCNC(C)CNC(=O)Cc1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C15H20N4O2/c1-10(16-2)9-17-14(20)8-13-11-6-4-5-7-12(11)15(21)19(3)18-13/h4-7,10,16H,8-9H2,1-3H3,(H,17,20)
InChIKeyRNDLUXYZRHEZKZ-UHFFFAOYSA-N
XLogP0.20
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301808
2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 30754178
N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17400514
2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide
CID 9205666
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 8958909
N-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 16604825
1-[[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120543615
N-[1-(3-fluorophenyl)propan-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 166209428
2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 49032784
(2S)-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]hexanoic acid
CID 120615453
N-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 32542356
2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide
CID 51132977

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 120831381) is N-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is CNC(C)CNC(=O)Cc1nn(C)c(=O)c2ccccc12.
What is the InChIKey of N-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is RNDLUXYZRHEZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(16-2)9-17-14(20)8-13-11-6-4-5-7-12(11)15(21)19(3)18-13/h4-7,10,16H,8-9H2,1-3H3,(H,17,20).
What are the key properties of N-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 120831381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).