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

C16H19NO3 — CID 78933491

IUPAC2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1c([C@@H](C)O)ccc2ccccc12
InChIInChI=1S/C16H19NO3/c1-10(18)13-9-8-12-6-4-5-7-14(12)15(13)20-11(2)16(19)17-3/h4-11,18H,1-3H3,(H,17,19)/t10-,11?/m1/s1
InChIKeySPXXUZUPLDPPGG-NFJWQWPMSA-N
MW273.33 g/mol
LogP2.41
Rot. Bonds4

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

2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-methylpropanamide (PubChem CID 78933491) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-methylpropanamide
PubChem CID78933491
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1c([C@@H](C)O)ccc2ccccc12
InChIInChI=1S/C16H19NO3/c1-10(18)13-9-8-12-6-4-5-7-14(12)15(13)20-11(2)16(19)17-3/h4-11,18H,1-3H3,(H,17,19)/t10-,11?/m1/s1
InChIKeySPXXUZUPLDPPGG-NFJWQWPMSA-N
XLogP2.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-propan-2-yloxynaphthalen-2-yl)ethanol
CID 43504390
(1S)-1-(1-butan-2-yloxynaphthalen-2-yl)ethanol
CID 63365420
1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol
CID 107892203
(2R)-N-methyl-2-naphthalen-2-yloxypropanamide
CID 42561231
2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide
CID 43504387
2-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxybutanenitrile
CID 63365505
3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
CID 63365385
1-[1-(2-methoxyethoxy)naphthalen-2-yl]ethanol
CID 43504354
2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide
CID 63365508
N-methyl-2-phenoxypropanamide
CID 4626974
(1R)-1-[1-(2-fluoroethoxy)naphthalen-2-yl]ethanol
CID 80694280
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-methylpropanamide?
The IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-methylpropanamide (CID 78933491) is 2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-methylpropanamide.
What is the SMILES notation for 2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-methylpropanamide?
The canonical SMILES for 2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-methylpropanamide is CNC(=O)C(C)Oc1c([C@@H](C)O)ccc2ccccc12.
What is the InChIKey of 2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-methylpropanamide?
The InChIKey is SPXXUZUPLDPPGG-NFJWQWPMSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10(18)13-9-8-12-6-4-5-7-14(12)15(13)20-11(2)16(19)17-3/h4-11,18H,1-3H3,(H,17,19)/t10-,11?/m1/s1.
What are the key properties of 2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-methylpropanamide?
2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-methylpropanamide has a molecular weight of 273.33 g/mol, XLogP of 2.41, 4 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-methylpropanamide is sourced from PubChem (CID 78933491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).