N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C26H32N4O2 — CID 55953291

IUPACN-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCN(Cc1ccccc1CNC(=O)Cc1nn(C)c(=O)c2ccccc12)C1CCCCC1
InChIInChI=1S/C26H32N4O2/c1-29(21-12-4-3-5-13-21)18-20-11-7-6-10-19(20)17-27-25(31)16-24-22-14-8-9-15-23(22)26(32)30(2)28-24/h6-11,14-15,21H,3-5,12-13,16-18H2,1-2H3,(H,27,31)
InChIKeyOLBKPKFYSSBFKP-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.56
Rot. Bonds7

About N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 55953291) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID55953291
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCN(Cc1ccccc1CNC(=O)Cc1nn(C)c(=O)c2ccccc12)C1CCCCC1
InChIInChI=1S/C26H32N4O2/c1-29(21-12-4-3-5-13-21)18-20-11-7-6-10-19(20)17-27-25(31)16-24-22-14-8-9-15-23(22)26(32)30(2)28-24/h6-11,14-15,21H,3-5,12-13,16-18H2,1-2H3,(H,27,31)
InChIKeyOLBKPKFYSSBFKP-UHFFFAOYSA-N
XLogP3.56
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopentylsulfanylethyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 32542356
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 24661105
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 55953546
1-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]urea
CID 52504194
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 124812329
2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301808
1-[[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120543615
3-(2-aminophenyl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]propanamide
CID 120612656
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 60551623
N-[2-(methylamino)propyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 120831381
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119861643
2-(3-methyl-4-oxophthalazin-1-yl)-N-(4-methylpiperazin-1-yl)acetamide
CID 9205666

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 55953291) is N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is CN(Cc1ccccc1CNC(=O)Cc1nn(C)c(=O)c2ccccc12)C1CCCCC1.
What is the InChIKey of N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is OLBKPKFYSSBFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-29(21-12-4-3-5-13-21)18-20-11-7-6-10-19(20)17-27-25(31)16-24-22-14-8-9-15-23(22)26(32)30(2)28-24/h6-11,14-15,21H,3-5,12-13,16-18H2,1-2H3,(H,27,31).
What are the key properties of N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 432.57 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 55953291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).