N-(4-tert-butylphenyl)-2-phthalazin-1-yloxyacetamide

C20H21N3O2 — CID 51142044

IUPACN-(4-tert-butylphenyl)-2-phthalazin-1-yloxyacetamide
SMILESCC(C)(C)c1ccc(NC(=O)COc2nncc3ccccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-20(2,3)15-8-10-16(11-9-15)22-18(24)13-25-19-17-7-5-4-6-14(17)12-21-23-19/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyBFHHCIIHAMCRHM-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.94
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-phthalazin-1-yloxyacetamide

N-(4-tert-butylphenyl)-2-phthalazin-1-yloxyacetamide (PubChem CID 51142044) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-phthalazin-1-yloxyacetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-phthalazin-1-yloxyacetamide
PubChem CID51142044
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(4-tert-butylphenyl)-2-phthalazin-1-yloxyacetamide
SMILESCC(C)(C)c1ccc(NC(=O)COc2nncc3ccccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-20(2,3)15-8-10-16(11-9-15)22-18(24)13-25-19-17-7-5-4-6-14(17)12-21-23-19/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyBFHHCIIHAMCRHM-UHFFFAOYSA-N
XLogP3.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-tert-butylphenyl)-2-phthalazin-1-yloxyacetamide 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-(4-ethylphenyl)-2-phthalazin-1-yloxyacetamide
CID 51142059
N-(3-chlorophenyl)-2-phthalazin-1-yloxyacetamide
CID 51142058
N-[(2S)-butan-2-yl]-2-phthalazin-1-yloxyacetamide
CID 94155072
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
N-(4-tert-butylphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7914312
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phthalazin-1-yloxyacetamide
CID 2548899
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-tert-butylphenyl)acetamide
CID 28857661
N-(4-tert-butylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 7913902
methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 710358
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
[2-(4-tert-butylanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 7843324
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide
CID 98307502

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-phthalazin-1-yloxyacetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-phthalazin-1-yloxyacetamide (CID 51142044) is N-(4-tert-butylphenyl)-2-phthalazin-1-yloxyacetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-phthalazin-1-yloxyacetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-phthalazin-1-yloxyacetamide is CC(C)(C)c1ccc(NC(=O)COc2nncc3ccccc23)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-phthalazin-1-yloxyacetamide?
The InChIKey is BFHHCIIHAMCRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-20(2,3)15-8-10-16(11-9-15)22-18(24)13-25-19-17-7-5-4-6-14(17)12-21-23-19/h4-12H,13H2,1-3H3,(H,22,24).
What are the key properties of N-(4-tert-butylphenyl)-2-phthalazin-1-yloxyacetamide?
N-(4-tert-butylphenyl)-2-phthalazin-1-yloxyacetamide has a molecular weight of 335.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-phthalazin-1-yloxyacetamide is sourced from PubChem (CID 51142044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).