N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(oxan-2-ylmethoxy)propanamide

C18H25FN2O3 — CID 120883116

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(oxan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCCO1)C(=O)Nc1ccc2c(c1F)CCNC2
InChIInChI=1S/C18H25FN2O3/c1-12(24-11-14-4-2-3-9-23-14)18(22)21-16-6-5-13-10-20-8-7-15(13)17(16)19/h5-6,12,14,20H,2-4,7-11H2,1H3,(H,21,22)
InChIKeyDXLPTBRKUVXMMG-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.38
Rot. Bonds5

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(oxan-2-ylmethoxy)propanamide

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(oxan-2-ylmethoxy)propanamide (PubChem CID 120883116) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(oxan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(oxan-2-ylmethoxy)propanamide
PubChem CID120883116
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(oxan-2-ylmethoxy)propanamide
SMILESCC(OCC1CCCCO1)C(=O)Nc1ccc2c(c1F)CCNC2
InChIInChI=1S/C18H25FN2O3/c1-12(24-11-14-4-2-3-9-23-14)18(22)21-16-6-5-13-10-20-8-7-15(13)17(16)19/h5-6,12,14,20H,2-4,7-11H2,1H3,(H,21,22)
InChIKeyDXLPTBRKUVXMMG-UHFFFAOYSA-N
XLogP2.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(oxan-2-yl)propanamide;hydrochloride
CID 120881399
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxane-2-carboxamide
CID 120882416
N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide
CID 18070263
(2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 52533675
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methoxyphenoxy)propanamide
CID 120883970
2-(4-chloro-3-methylphenoxy)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
CID 120882527
(2R)-2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-methylbutanamide
CID 120880934
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(3-propan-2-ylphenoxy)propanamide
CID 120881854
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-propan-2-yloxypropanamide
CID 120883744
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylsulfonylpropanamide;hydrochloride
CID 120883299
(2R)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95286084
(2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 97003852

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(oxan-2-ylmethoxy)propanamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(oxan-2-ylmethoxy)propanamide (CID 120883116) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(oxan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(oxan-2-ylmethoxy)propanamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(oxan-2-ylmethoxy)propanamide is CC(OCC1CCCCO1)C(=O)Nc1ccc2c(c1F)CCNC2.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(oxan-2-ylmethoxy)propanamide?
The InChIKey is DXLPTBRKUVXMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-12(24-11-14-4-2-3-9-23-14)18(22)21-16-6-5-13-10-20-8-7-15(13)17(16)19/h5-6,12,14,20H,2-4,7-11H2,1H3,(H,21,22).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(oxan-2-ylmethoxy)propanamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(oxan-2-ylmethoxy)propanamide has a molecular weight of 336.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(oxan-2-ylmethoxy)propanamide is sourced from PubChem (CID 120883116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).