N-[(2S)-1-[3-(isoquinolin-1-yloxymethyl)cyclobutyl]oxypropan-2-yl]acetamide

C19H24N2O3 — CID 122497710

IUPACN-[(2S)-1-[3-(isoquinolin-1-yloxymethyl)cyclobutyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CC(COc2nccc3ccccc23)C1
InChIInChI=1S/C19H24N2O3/c1-13(21-14(2)22)11-23-17-9-15(10-17)12-24-19-18-6-4-3-5-16(18)7-8-20-19/h3-8,13,15,17H,9-12H2,1-2H3,(H,21,22)/t13-,15?,17?/m0/s1
InChIKeyVBYCQEBNTVUWMM-KTAKPFMOSA-N
MW328.41 g/mol
LogP2.93
Rot. Bonds7

About N-[(2S)-1-[3-(isoquinolin-1-yloxymethyl)cyclobutyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[3-(isoquinolin-1-yloxymethyl)cyclobutyl]oxypropan-2-yl]acetamide (PubChem CID 122497710) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[(2S)-1-[3-(isoquinolin-1-yloxymethyl)cyclobutyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-(isoquinolin-1-yloxymethyl)cyclobutyl]oxypropan-2-yl]acetamide
PubChem CID122497710
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[(2S)-1-[3-(isoquinolin-1-yloxymethyl)cyclobutyl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COC1CC(COc2nccc3ccccc23)C1
InChIInChI=1S/C19H24N2O3/c1-13(21-14(2)22)11-23-17-9-15(10-17)12-24-19-18-6-4-3-5-16(18)7-8-20-19/h3-8,13,15,17H,9-12H2,1-2H3,(H,21,22)/t13-,15?,17?/m0/s1
InChIKeyVBYCQEBNTVUWMM-KTAKPFMOSA-N
XLogP2.93
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-[3-[[3-chloro-4-(2-methoxyethoxy)-2-pyridinyl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122497759
N-[(2S)-1-[3-[[5-fluoro-6-[(4-fluoro-2-pyridinyl)methoxy]pyrimidin-4-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122498053
N-[(2S)-1-[3-[[6-(1,3-benzoxazol-2-yl)-5-chloropyrimidin-4-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122497089
N-[(2S)-1-[3-[[6-[benzyl(methyl)amino]-5-chloropyrimidin-4-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122497894
N-[(2S)-1-[3-[[2-(dimethylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122497754
N-[(2S)-1-[3-[(7-chloro-5-fluoro-2-propan-2-yl-1,3-benzothiazol-6-yl)oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122497421
N-[(2S)-1-[3-[[5-chloro-6-(1,3-thiazol-5-ylmethoxy)pyrimidin-4-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122497719
N-[(2S)-1-[3-[[2-[(2S)-2-fluoropropoxy]-3-methylimidazo[4,5-b]pyridin-5-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122498086
N-[1-(3-fluorocyclobutyl)oxypropan-2-yl]acetamide
CID 154946901
N-[(2S)-1-[3-[[2-(1,1-difluoroethyl)-7-fluoro-1,3-benzothiazol-6-yl]oxymethyl]cyclobutyl]oxypropan-2-yl]acetamide
CID 122497981
N-[(2S)-1-[4-[[6-(cyclopropylmethoxy)-2-fluoro-3-pyridinyl]methoxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 151266250
2-(3-ethoxycyclobutyl)-N-(isoquinolin-1-ylmethyl)acetamide
CID 126795442

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-(isoquinolin-1-yloxymethyl)cyclobutyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[3-(isoquinolin-1-yloxymethyl)cyclobutyl]oxypropan-2-yl]acetamide (CID 122497710) is N-[(2S)-1-[3-(isoquinolin-1-yloxymethyl)cyclobutyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[3-(isoquinolin-1-yloxymethyl)cyclobutyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[3-(isoquinolin-1-yloxymethyl)cyclobutyl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COC1CC(COc2nccc3ccccc23)C1.
What is the InChIKey of N-[(2S)-1-[3-(isoquinolin-1-yloxymethyl)cyclobutyl]oxypropan-2-yl]acetamide?
The InChIKey is VBYCQEBNTVUWMM-KTAKPFMOSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13(21-14(2)22)11-23-17-9-15(10-17)12-24-19-18-6-4-3-5-16(18)7-8-20-19/h3-8,13,15,17H,9-12H2,1-2H3,(H,21,22)/t13-,15?,17?/m0/s1.
What are the key properties of N-[(2S)-1-[3-(isoquinolin-1-yloxymethyl)cyclobutyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[3-(isoquinolin-1-yloxymethyl)cyclobutyl]oxypropan-2-yl]acetamide has a molecular weight of 328.41 g/mol, XLogP of 2.93, 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-(isoquinolin-1-yloxymethyl)cyclobutyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).