3-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-propan-2-ylpropanamide

C17H21NO3 — CID 62626433

IUPAC3-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1ccc2ccccc2c1CO
InChIInChI=1S/C17H21NO3/c1-12(2)18-17(20)9-10-21-16-8-7-13-5-3-4-6-14(13)15(16)11-19/h3-8,12,19H,9-11H2,1-2H3,(H,18,20)
InChIKeyGDWUNLBKPJXIEE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.63
Rot. Bonds6

About 3-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-propan-2-ylpropanamide

3-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-propan-2-ylpropanamide (PubChem CID 62626433) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-propan-2-ylpropanamide
PubChem CID62626433
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1ccc2ccccc2c1CO
InChIInChI=1S/C17H21NO3/c1-12(2)18-17(20)9-10-21-16-8-7-13-5-3-4-6-14(13)15(16)11-19/h3-8,12,19H,9-11H2,1-2H3,(H,18,20)
InChIKeyGDWUNLBKPJXIEE-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methylbutoxy)naphthalen-1-yl]methanol
CID 43505713
3-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propan-2-ylpropanamide
CID 107698389
3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide
CID 60544727
[2-(2-propoxyethoxy)naphthalen-1-yl]methanol
CID 106453720
[2-(methoxymethoxy)naphthalen-1-yl]methanol
CID 65364950
N-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide
CID 43505701
3-(2-acetyl-4-aminophenoxy)-N-propan-2-ylpropanamide
CID 116540898
(2S)-2-(4-naphthalen-1-yloxybutanoylamino)propanoic acid
CID 119238607
N,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide
CID 43505758
3-(2-formyl-4-methylphenoxy)-N-propan-2-ylpropanamide
CID 55204374
3-(1-formylnaphthalen-2-yl)oxy-N-methylpropanamide
CID 62326134
3-[[6-methyl-2-(methylaminomethyl)-3-pyridinyl]oxy]-N-propan-2-ylpropanamide
CID 79151271

Frequently Asked Questions

What is the IUPAC name of 3-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-propan-2-ylpropanamide?
The IUPAC name of 3-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-propan-2-ylpropanamide (CID 62626433) is 3-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-propan-2-ylpropanamide is CC(C)NC(=O)CCOc1ccc2ccccc2c1CO.
What is the InChIKey of 3-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-propan-2-ylpropanamide?
The InChIKey is GDWUNLBKPJXIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(2)18-17(20)9-10-21-16-8-7-13-5-3-4-6-14(13)15(16)11-19/h3-8,12,19H,9-11H2,1-2H3,(H,18,20).
What are the key properties of 3-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-propan-2-ylpropanamide?
3-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-propan-2-ylpropanamide has a molecular weight of 287.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-propan-2-ylpropanamide is sourced from PubChem (CID 62626433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).