N-(4-ethylphenyl)-2-phthalazin-1-yloxyacetamide

C18H17N3O2 — CID 51142059

IUPACN-(4-ethylphenyl)-2-phthalazin-1-yloxyacetamide
SMILESCCc1ccc(NC(=O)COc2nncc3ccccc23)cc1
InChIInChI=1S/C18H17N3O2/c1-2-13-7-9-15(10-8-13)20-17(22)12-23-18-16-6-4-3-5-14(16)11-19-21-18/h3-11H,2,12H2,1H3,(H,20,22)
InChIKeyLCPACRFVQBPWFK-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.21
Rot. Bonds5

About N-(4-ethylphenyl)-2-phthalazin-1-yloxyacetamide

N-(4-ethylphenyl)-2-phthalazin-1-yloxyacetamide (PubChem CID 51142059) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-phthalazin-1-yloxyacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-phthalazin-1-yloxyacetamide
PubChem CID51142059
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(4-ethylphenyl)-2-phthalazin-1-yloxyacetamide
SMILESCCc1ccc(NC(=O)COc2nncc3ccccc23)cc1
InChIInChI=1S/C18H17N3O2/c1-2-13-7-9-15(10-8-13)20-17(22)12-23-18-16-6-4-3-5-14(16)11-19-21-18/h3-11H,2,12H2,1H3,(H,20,22)
InChIKeyLCPACRFVQBPWFK-UHFFFAOYSA-N
XLogP3.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-2-phthalazin-1-yloxyacetamide
CID 51142044
N-(3-chlorophenyl)-2-phthalazin-1-yloxyacetamide
CID 51142058
N-[(2S)-butan-2-yl]-2-phthalazin-1-yloxyacetamide
CID 94155072
N-[(2R)-butan-2-yl]-2-phthalazin-1-yloxyacetamide
CID 94155071
2-(4-ethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958186
2-(4-anilinophenoxy)-N-(4-ethylphenyl)acetamide
CID 2559894
N-[4-(carbamoylamino)phenyl]-2-(4-ethylphenoxy)acetamide
CID 33152476
N-(4-ethylphenyl)-3-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]butanamide
CID 5035424
N-(4-ethoxyphenyl)-2-(2-ethylquinazolin-4-yl)oxyacetamide
CID 46391636
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide
CID 98307502
2-(4-aminophenoxy)-N-(4-ethylphenyl)acetamide
CID 39107615
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-phthalazin-1-yloxyacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-phthalazin-1-yloxyacetamide (CID 51142059) is N-(4-ethylphenyl)-2-phthalazin-1-yloxyacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-phthalazin-1-yloxyacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-phthalazin-1-yloxyacetamide is CCc1ccc(NC(=O)COc2nncc3ccccc23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-phthalazin-1-yloxyacetamide?
The InChIKey is LCPACRFVQBPWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-13-7-9-15(10-8-13)20-17(22)12-23-18-16-6-4-3-5-14(16)11-19-21-18/h3-11H,2,12H2,1H3,(H,20,22).
What are the key properties of N-(4-ethylphenyl)-2-phthalazin-1-yloxyacetamide?
N-(4-ethylphenyl)-2-phthalazin-1-yloxyacetamide has a molecular weight of 307.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-phthalazin-1-yloxyacetamide is sourced from PubChem (CID 51142059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).