N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide

C19H23N3O2 — CID 98307502

IUPACN-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide
SMILESC[C@H](NC(=O)COc1nncc2ccccc12)[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C19H23N3O2/c1-12(17-9-13-6-7-14(17)8-13)21-18(23)11-24-19-16-5-3-2-4-15(16)10-20-22-19/h2-5,10,12-14,17H,6-9,11H2,1H3,(H,21,23)/t12-,13+,14+,17+/m0/s1
InChIKeyADUMWCAGAITJBX-ZOMKSWQUSA-N
MW325.41 g/mol
LogP2.95
Rot. Bonds5

About N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide

N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide (PubChem CID 98307502) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide.

Molecular Properties

Compound NameN-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide
PubChem CID98307502
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide
SMILESC[C@H](NC(=O)COc1nncc2ccccc12)[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C19H23N3O2/c1-12(17-9-13-6-7-14(17)8-13)21-18(23)11-24-19-16-5-3-2-4-15(16)10-20-22-19/h2-5,10,12-14,17H,6-9,11H2,1H3,(H,21,23)/t12-,13+,14+,17+/m0/s1
InChIKeyADUMWCAGAITJBX-ZOMKSWQUSA-N
XLogP2.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide with MolForge

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Related Compounds

N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-quinazolin-4-yloxyacetamide
CID 98288358
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
CID 2932687
N-[(2R)-butan-2-yl]-2-phthalazin-1-yloxyacetamide
CID 94155071
2-[2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]benzamide
CID 98688995
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-chlorophenoxy)acetamide
CID 129376161
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide
CID 2933783
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide
CID 24698326
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 3878614
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3-diphenylpropanamide
CID 4526880
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 98370549
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3-chlorophenoxy)acetamide
CID 98408218
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide
CID 112788177

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide?
The IUPAC name of N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide (CID 98307502) is N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide.
What is the SMILES notation for N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide?
The canonical SMILES for N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide is C[C@H](NC(=O)COc1nncc2ccccc12)[C@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide?
The InChIKey is ADUMWCAGAITJBX-ZOMKSWQUSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12(17-9-13-6-7-14(17)8-13)21-18(23)11-24-19-16-5-3-2-4-15(16)10-20-22-19/h2-5,10,12-14,17H,6-9,11H2,1H3,(H,21,23)/t12-,13+,14+,17+/m0/s1.
What are the key properties of N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide?
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide has a molecular weight of 325.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide is sourced from PubChem (CID 98307502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).