N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C18H25N3O2 — CID 52996120

IUPACN-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H25N3O2/c1-12(2)7-6-8-13(3)19-17(22)11-16-14-9-4-5-10-15(14)18(23)21-20-16/h4-5,9-10,12-13H,6-8,11H2,1-3H3,(H,19,22)(H,21,23)
InChIKeyPSNJIRKXQWJFKH-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.80
Rot. Bonds7

About N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 52996120) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID52996120
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H25N3O2/c1-12(2)7-6-8-13(3)19-17(22)11-16-14-9-4-5-10-15(14)18(23)21-20-16/h4-5,9-10,12-13H,6-8,11H2,1-3H3,(H,19,22)(H,21,23)
InChIKeyPSNJIRKXQWJFKH-UHFFFAOYSA-N
XLogP2.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(6-methylheptan-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
2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylpropan-2-yl)acetamide
CID 42957552
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
N-(1-hydroxy-3-methylpentan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 91820903
N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 36573611
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 91822227
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-propylacetamide
CID 17394362
2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 45371525
N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide
CID 2423706
(2R)-4-amino-4-oxo-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]butanoic acid
CID 133269517

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 52996120) is N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is CC(C)CCCC(C)NC(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is PSNJIRKXQWJFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12(2)7-6-8-13(3)19-17(22)11-16-14-9-4-5-10-15(14)18(23)21-20-16/h4-5,9-10,12-13H,6-8,11H2,1-3H3,(H,19,22)(H,21,23).
What are the key properties of N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 52996120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).