N-[(2S)-1-[3-[(6-fluoroisoquinolin-1-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide

C19H23FN2O3 — CID 122497862

IUPACN-[(2S)-1-[3-[(6-fluoroisoquinolin-1-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CC(COc2nccc3cc(F)ccc23)C1
InChIInChI=1S/C19H23FN2O3/c1-12(22-13(2)23)10-24-17-7-14(8-17)11-25-19-18-4-3-16(20)9-15(18)5-6-21-19/h3-6,9,12,14,17H,7-8,10-11H2,1-2H3,(H,22,23)/t12-,14?,17?/m0/s1
InChIKeyPZEIAFUETKODMU-MKQDKFQKSA-N
MW346.40 g/mol
LogP3.07
Rot. Bonds7

About N-[(2S)-1-[3-[(6-fluoroisoquinolin-1-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[3-[(6-fluoroisoquinolin-1-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide (PubChem CID 122497862) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is N-[(2S)-1-[3-[(6-fluoroisoquinolin-1-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-[(6-fluoroisoquinolin-1-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
PubChem CID122497862
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC NameN-[(2S)-1-[3-[(6-fluoroisoquinolin-1-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CC(COc2nccc3cc(F)ccc23)C1
InChIInChI=1S/C19H23FN2O3/c1-12(22-13(2)23)10-24-17-7-14(8-17)11-25-19-18-4-3-16(20)9-15(18)5-6-21-19/h3-6,9,12,14,17H,7-8,10-11H2,1-2H3,(H,22,23)/t12-,14?,17?/m0/s1
InChIKeyPZEIAFUETKODMU-MKQDKFQKSA-N
XLogP3.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[3-[(6-fluoroisoquinolin-1-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-[(6-fluoroisoquinolin-1-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[3-[(6-fluoroisoquinolin-1-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide (CID 122497862) is N-[(2S)-1-[3-[(6-fluoroisoquinolin-1-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[3-[(6-fluoroisoquinolin-1-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[3-[(6-fluoroisoquinolin-1-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CC(COc2nccc3cc(F)ccc23)C1.
What is the InChIKey of N-[(2S)-1-[3-[(6-fluoroisoquinolin-1-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
The InChIKey is PZEIAFUETKODMU-MKQDKFQKSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-12(22-13(2)23)10-24-17-7-14(8-17)11-25-19-18-4-3-16(20)9-15(18)5-6-21-19/h3-6,9,12,14,17H,7-8,10-11H2,1-2H3,(H,22,23)/t12-,14?,17?/m0/s1.
What are the key properties of N-[(2S)-1-[3-[(6-fluoroisoquinolin-1-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[3-[(6-fluoroisoquinolin-1-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide has a molecular weight of 346.40 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-[(6-fluoroisoquinolin-1-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).