N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C16H21N3O3 — CID 91820903

IUPACN-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCCC(C)C(CO)NC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H21N3O3/c1-3-10(2)14(9-20)17-15(21)8-13-11-6-4-5-7-12(11)16(22)19-18-13/h4-7,10,14,20H,3,8-9H2,1-2H3,(H,17,21)(H,19,22)
InChIKeyGGFSTBIOBPEARO-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.99
Rot. Bonds6

About N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 91820903) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID91820903
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCCC(C)C(CO)NC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H21N3O3/c1-3-10(2)14(9-20)17-15(21)8-13-11-6-4-5-7-12(11)16(22)19-18-13/h4-7,10,14,20H,3,8-9H2,1-2H3,(H,17,21)(H,19,22)
InChIKeyGGFSTBIOBPEARO-UHFFFAOYSA-N
XLogP0.99
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-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

(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 52996120
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 91822227
N-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide
CID 171138517
N-[1-(2-chlorophenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17416824
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 36573611
2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
CID 46966888
N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 34078536
2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 42957552
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 46432138
N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 8839355

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 91820903) is N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is CCC(C)C(CO)NC(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is GGFSTBIOBPEARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-10(2)14(9-20)17-15(21)8-13-11-6-4-5-7-12(11)16(22)19-18-13/h4-7,10,14,20H,3,8-9H2,1-2H3,(H,17,21)(H,19,22).
What are the key properties of N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 303.36 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 91820903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).