N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)acetamide

C21H21N3O2 — CID 166201044

IUPACN-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)N(CCc1ccccc1)C1CC1
InChIInChI=1S/C21H21N3O2/c25-20(14-19-17-8-4-5-9-18(17)21(26)23-22-19)24(16-10-11-16)13-12-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,23,26)
InChIKeyMBLCPRHLASAZCV-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.70
Rot. Bonds6

About N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)acetamide

N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)acetamide (PubChem CID 166201044) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)acetamide
PubChem CID166201044
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)N(CCc1ccccc1)C1CC1
InChIInChI=1S/C21H21N3O2/c25-20(14-19-17-8-4-5-9-18(17)21(26)23-22-19)24(16-10-11-16)13-12-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,23,26)
InChIKeyMBLCPRHLASAZCV-UHFFFAOYSA-N
XLogP2.70
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)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

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17401113
N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 17452042
2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 166184628
N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671635
2-(2H-indazol-3-yl)-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide
CID 71923006
4-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-2H-phthalazin-1-one
CID 166196668
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251540
2-(4-oxo-3H-phthalazin-1-yl)-N-phenylmethoxyacetamide
CID 17472409
N-(dicyclopropylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 36573611
N-cyclopentyl-N-(2-phenylethyl)butanamide
CID 78853681
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7789921
N-(2,5-dimethylphenyl)-N-(oxan-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166250443

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)acetamide (CID 166201044) is N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)N(CCc1ccccc1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is MBLCPRHLASAZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c25-20(14-19-17-8-4-5-9-18(17)21(26)23-22-19)24(16-10-11-16)13-12-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,23,26).
What are the key properties of N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)acetamide?
N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 166201044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).