2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide

C17H21NO3 — CID 63365508

IUPAC2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide
SMILESCCCNC(=O)COc1c([C@@H](C)O)ccc2ccccc12
InChIInChI=1S/C17H21NO3/c1-3-10-18-16(20)11-21-17-14(12(2)19)9-8-13-6-4-5-7-15(13)17/h4-9,12,19H,3,10-11H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyFXUNXJFUZLWXFU-GFCCVEGCSA-N
MW287.36 g/mol
LogP2.80
Rot. Bonds6

About 2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide

2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide (PubChem CID 63365508) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide
PubChem CID63365508
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide
SMILESCCCNC(=O)COc1c([C@@H](C)O)ccc2ccccc12
InChIInChI=1S/C17H21NO3/c1-3-10-18-16(20)11-21-17-14(12(2)19)9-8-13-6-4-5-7-15(13)17/h4-9,12,19H,3,10-11H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyFXUNXJFUZLWXFU-GFCCVEGCSA-N
XLogP2.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N-propylacetamide
CID 63368452
2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide
CID 43504387
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
CID 43503995
(1S)-1-(1-hexoxynaphthalen-2-yl)ethanol
CID 78944606
1-[1-(2-methoxyethoxy)naphthalen-2-yl]ethanol
CID 43504354
2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide
CID 43505510
(1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol
CID 63365584
3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
CID 63365385
2-[4-bromo-2-[(1R)-1-hydroxyethyl]phenoxy]-N-propylacetamide
CID 63365818
(1R)-1-[1-(2-fluoroethoxy)naphthalen-2-yl]ethanol
CID 80694280
1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol
CID 107892203
(1R)-1-[1-[(E)-3-chloro-2-methylprop-2-enoxy]naphthalen-2-yl]ethanol
CID 106438840

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide?
The IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide (CID 63365508) is 2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide.
What is the SMILES notation for 2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide?
The canonical SMILES for 2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide is CCCNC(=O)COc1c([C@@H](C)O)ccc2ccccc12.
What is the InChIKey of 2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide?
The InChIKey is FXUNXJFUZLWXFU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-10-18-16(20)11-21-17-14(12(2)19)9-8-13-6-4-5-7-15(13)17/h4-9,12,19H,3,10-11H2,1-2H3,(H,18,20)/t12-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide?
2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide has a molecular weight of 287.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide is sourced from PubChem (CID 63365508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).