2-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylacetamide

C14H19NO2 — CID 21316437

IUPAC2-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1Cc2ccccc2CC1O
InChIInChI=1S/C14H19NO2/c1-15(2)14(17)9-12-7-10-5-3-4-6-11(10)8-13(12)16/h3-6,12-13,16H,7-9H2,1-2H3
InChIKeyLWBZOVXUNGRXAI-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.24
Rot. Bonds2

About 2-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylacetamide

2-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylacetamide (PubChem CID 21316437) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylacetamide
PubChem CID21316437
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1Cc2ccccc2CC1O
InChIInChI=1S/C14H19NO2/c1-15(2)14(17)9-12-7-10-5-3-4-6-11(10)8-13(12)16/h3-6,12-13,16H,7-9H2,1-2H3
InChIKeyLWBZOVXUNGRXAI-UHFFFAOYSA-N
XLogP1.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 89150261
(2R,3R)-3-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 70608078
2-[(R)-2,3-dihydro-1H-inden-2-ylsulfinyl]-N,N-dimethylacetamide
CID 124636324
3-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
CID 18936951
2-[(3S,4R)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylacetamide
CID 175660454
N,N-dimethyl-2-[(1R)-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetamide
CID 7011709
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-N,N-dimethylacetamide
CID 54896080
2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 118769079
2-(2,3-dihydro-1H-inden-1-ylamino)-N,N-dimethylacetamide
CID 43215159
N-(2,3-dihydro-1H-inden-2-yl)-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
CID 94646397
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
2-[(3R,4S)-4-hydroxy-1-(5-phenoxypyrimidin-2-yl)pyrrolidin-3-yl]-N,N-dimethylacetamide
CID 146113163

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylacetamide (CID 21316437) is 2-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylacetamide is CN(C)C(=O)CC1Cc2ccccc2CC1O.
What is the InChIKey of 2-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylacetamide?
The InChIKey is LWBZOVXUNGRXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15(2)14(17)9-12-7-10-5-3-4-6-11(10)8-13(12)16/h3-6,12-13,16H,7-9H2,1-2H3.
What are the key properties of 2-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylacetamide?
2-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylacetamide has a molecular weight of 233.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 21316437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).