2-(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-N,N-dimethylacetamide

C14H17NO3 — CID 22998648

IUPAC2-(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CCc2cc(O)ccc2C1=O
InChIInChI=1S/C14H17NO3/c1-15(2)13(17)8-10-4-3-9-7-11(16)5-6-12(9)14(10)18/h5-7,10,16H,3-4,8H2,1-2H3
InChIKeyCPQRODGFPJZNAZ-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.62
Rot. Bonds2

About 2-(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-N,N-dimethylacetamide

2-(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-N,N-dimethylacetamide (PubChem CID 22998648) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-N,N-dimethylacetamide
PubChem CID22998648
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CCc2cc(O)ccc2C1=O
InChIInChI=1S/C14H17NO3/c1-15(2)13(17)8-10-4-3-9-7-11(16)5-6-12(9)14(10)18/h5-7,10,16H,3-4,8H2,1-2H3
InChIKeyCPQRODGFPJZNAZ-UHFFFAOYSA-N
XLogP1.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-N,N-dimethylacetamide (CID 22998648) is 2-(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-N,N-dimethylacetamide is CN(C)C(=O)CC1CCc2cc(O)ccc2C1=O.
What is the InChIKey of 2-(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-N,N-dimethylacetamide?
The InChIKey is CPQRODGFPJZNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-15(2)13(17)8-10-4-3-9-7-11(16)5-6-12(9)14(10)18/h5-7,10,16H,3-4,8H2,1-2H3.
What are the key properties of 2-(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-N,N-dimethylacetamide?
2-(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-N,N-dimethylacetamide has a molecular weight of 247.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 22998648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).