3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide

C17H21NO3 — CID 63365385

IUPAC3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
SMILESC[C@H](O)c1ccc2ccccc2c1OCCC(=O)N(C)C
InChIInChI=1S/C17H21NO3/c1-12(19)14-9-8-13-6-4-5-7-15(13)17(14)21-11-10-16(20)18(2)3/h4-9,12,19H,10-11H2,1-3H3/t12-/m0/s1
InChIKeyWPGGYQHOLKZWAZ-LBPRGKRZSA-N
MW287.36 g/mol
LogP2.75
Rot. Bonds5

About 3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide

3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide (PubChem CID 63365385) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
PubChem CID63365385
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
SMILESC[C@H](O)c1ccc2ccccc2c1OCCC(=O)N(C)C
InChIInChI=1S/C17H21NO3/c1-12(19)14-9-8-13-6-4-5-7-15(13)17(14)21-11-10-16(20)18(2)3/h4-9,12,19H,10-11H2,1-3H3/t12-/m0/s1
InChIKeyWPGGYQHOLKZWAZ-LBPRGKRZSA-N
XLogP2.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
CID 78930722
1-[1-(2-methoxyethoxy)naphthalen-2-yl]ethanol
CID 43504354
(1R)-1-[1-(2-fluoroethoxy)naphthalen-2-yl]ethanol
CID 80694280
2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide
CID 63368477
(1R)-1-[1-[2-(diethylamino)ethoxy]naphthalen-2-yl]ethanol
CID 78933650
(1S)-1-(1-hexoxynaphthalen-2-yl)ethanol
CID 78944606
1-(1-propan-2-yloxynaphthalen-2-yl)ethanol
CID 43504390
(1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol
CID 79014754
2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide
CID 43504387
2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-methylpropanamide
CID 78933491
(1S)-1-(1-hept-6-enoxynaphthalen-2-yl)ethanol
CID 107007499
(1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol
CID 63365341

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide (CID 63365385) is 3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide is C[C@H](O)c1ccc2ccccc2c1OCCC(=O)N(C)C.
What is the InChIKey of 3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide?
The InChIKey is WPGGYQHOLKZWAZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(19)14-9-8-13-6-4-5-7-15(13)17(14)21-11-10-16(20)18(2)3/h4-9,12,19H,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of 3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide?
3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide has a molecular weight of 287.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide is sourced from PubChem (CID 63365385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).