2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-methylpropanamide

C14H19NO3 — CID 60665655

IUPAC2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1cccc2c1CCCC2O
InChIInChI=1S/C14H19NO3/c1-9(14(17)15-2)18-13-8-4-5-10-11(13)6-3-7-12(10)16/h4-5,8-9,12,16H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyXBIDTWLBKMBYME-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.57
Rot. Bonds3

About 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-methylpropanamide

2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-methylpropanamide (PubChem CID 60665655) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-methylpropanamide
PubChem CID60665655
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1cccc2c1CCCC2O
InChIInChI=1S/C14H19NO3/c1-9(14(17)15-2)18-13-8-4-5-10-11(13)6-3-7-12(10)16/h4-5,8-9,12,16H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyXBIDTWLBKMBYME-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-propan-2-ylpropanamide
CID 55179521
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propanenitrile
CID 60730702
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133161578
(2R)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100734384
5-but-3-en-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 65456542
ethyl 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]pentanoate
CID 83040077
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]butanenitrile
CID 65453706
2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]-N-(4-propan-2-ylphenyl)acetamide
CID 39921821
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-cyclopropylpropanamide
CID 63090463
N-tert-butyl-2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanamide
CID 63089776
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-pentan-2-ylacetamide
CID 60623659
2-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]propanamide
CID 65453859

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-methylpropanamide?
The IUPAC name of 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-methylpropanamide (CID 60665655) is 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-methylpropanamide.
What is the SMILES notation for 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-methylpropanamide?
The canonical SMILES for 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-methylpropanamide is CNC(=O)C(C)Oc1cccc2c1CCCC2O.
What is the InChIKey of 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-methylpropanamide?
The InChIKey is XBIDTWLBKMBYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(14(17)15-2)18-13-8-4-5-10-11(13)6-3-7-12(10)16/h4-5,8-9,12,16H,3,6-7H2,1-2H3,(H,15,17).
What are the key properties of 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-methylpropanamide?
2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-methylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N-methylpropanamide is sourced from PubChem (CID 60665655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).