N-(1-methoxypropan-2-yl)-2-phthalazin-1-yloxyacetamide

C14H17N3O3 — CID 6416719

IUPACN-(1-methoxypropan-2-yl)-2-phthalazin-1-yloxyacetamide
SMILESCOCC(C)NC(=O)COc1nncc2ccccc12
InChIInChI=1S/C14H17N3O3/c1-10(8-19-2)16-13(18)9-20-14-12-6-4-3-5-11(12)7-15-17-14/h3-7,10H,8-9H2,1-2H3,(H,16,18)
InChIKeyUWEITVNHHNHQJQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.16
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-2-phthalazin-1-yloxyacetamide

N-(1-methoxypropan-2-yl)-2-phthalazin-1-yloxyacetamide (PubChem CID 6416719) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-phthalazin-1-yloxyacetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-phthalazin-1-yloxyacetamide
PubChem CID6416719
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(1-methoxypropan-2-yl)-2-phthalazin-1-yloxyacetamide
SMILESCOCC(C)NC(=O)COc1nncc2ccccc12
InChIInChI=1S/C14H17N3O3/c1-10(8-19-2)16-13(18)9-20-14-12-6-4-3-5-11(12)7-15-17-14/h3-7,10H,8-9H2,1-2H3,(H,16,18)
InChIKeyUWEITVNHHNHQJQ-UHFFFAOYSA-N
XLogP1.16
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-phenyl-1-(trifluoromethyl)-1H-1,2,3-triazole-4-carboxylat
CID 2609075
2-phthalazin-1-yloxy-N-propan-2-ylacetamide
CID 6414047
Phthalazine, 1-ethoxy-
CID 3021739
N-[2-(cyclohexen-1-yl)ethyl]-2-phthalazin-1-yloxyacetamide
CID 2124093
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphthalazin-1-yl)oxyacetamide
CID 6407535
N-(3,4-difluorophenyl)-2-phthalazin-1-yloxyacetamide
CID 2557681
N-[2-(4-methoxyphenyl)ethyl]-2-phthalazin-1-yloxyacetamide
CID 6409395
N-[2,6-di(propan-2-yl)phenyl]-2-phthalazin-1-yloxyacetamide
CID 6407567
2-phthalazin-1-yloxy-N-(2,4,6-trimethylphenyl)acetamide
CID 6407570
2-phthalazin-1-yloxy-N-(4-propan-2-ylphenyl)acetamide
CID 6409084
N-(2,3,4,5,6-pentafluorophenyl)-2-phthalazin-1-yloxyacetamide
CID 2098730
N-(3-acetamidophenyl)-2-phthalazin-1-yloxyacetamide
CID 6409396

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-phthalazin-1-yloxyacetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-phthalazin-1-yloxyacetamide (CID 6416719) is N-(1-methoxypropan-2-yl)-2-phthalazin-1-yloxyacetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-phthalazin-1-yloxyacetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-phthalazin-1-yloxyacetamide is COCC(C)NC(=O)COc1nncc2ccccc12.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-phthalazin-1-yloxyacetamide?
The InChIKey is UWEITVNHHNHQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10(8-19-2)16-13(18)9-20-14-12-6-4-3-5-11(12)7-15-17-14/h3-7,10H,8-9H2,1-2H3,(H,16,18).
What are the key properties of N-(1-methoxypropan-2-yl)-2-phthalazin-1-yloxyacetamide?
N-(1-methoxypropan-2-yl)-2-phthalazin-1-yloxyacetamide has a molecular weight of 275.31 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-phthalazin-1-yloxyacetamide is sourced from PubChem (CID 6416719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).