2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide

C17H21NO3 — CID 43504387

IUPAC2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1c(C(C)O)ccc2ccccc12
InChIInChI=1S/C17H21NO3/c1-11(2)18-16(20)10-21-17-14(12(3)19)9-8-13-6-4-5-7-15(13)17/h4-9,11-12,19H,10H2,1-3H3,(H,18,20)
InChIKeyUFHSAVWSBDVGQG-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.80
Rot. Bonds5

About 2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide

2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide (PubChem CID 43504387) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide
PubChem CID43504387
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1c(C(C)O)ccc2ccccc12
InChIInChI=1S/C17H21NO3/c1-11(2)18-16(20)10-21-17-14(12(3)19)9-8-13-6-4-5-7-15(13)17/h4-9,11-12,19H,10H2,1-3H3,(H,18,20)
InChIKeyUFHSAVWSBDVGQG-UHFFFAOYSA-N
XLogP2.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-hydroxyethyl]naphthalen-1-yl]oxy-N-propylacetamide
CID 63365508
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide
CID 78931532
1-[1-(2-methoxyethoxy)naphthalen-2-yl]ethanol
CID 43504354
3-[2-[(1S)-1-hydroxyethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
CID 63365385
(1R)-1-[1-(2-fluoroethoxy)naphthalen-2-yl]ethanol
CID 80694280
2-[2-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-N-methylpropanamide
CID 78933491
(1R)-1-[1-[(E)-3-chloro-2-methylprop-2-enoxy]naphthalen-2-yl]ethanol
CID 106438840
2-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N-propylacetamide
CID 63368452
2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N-cyclopropylacetamide
CID 63368493
(1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol
CID 63365584
(1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol
CID 63365341
1-(1-propan-2-yloxynaphthalen-2-yl)ethanol
CID 43504390

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide (CID 43504387) is 2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide is CC(C)NC(=O)COc1c(C(C)O)ccc2ccccc12.
What is the InChIKey of 2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide?
The InChIKey is UFHSAVWSBDVGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11(2)18-16(20)10-21-17-14(12(3)19)9-8-13-6-4-5-7-15(13)17/h4-9,11-12,19H,10H2,1-3H3,(H,18,20).
What are the key properties of 2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide?
2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide has a molecular weight of 287.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxyethyl)naphthalen-1-yl]oxy-N-propan-2-ylacetamide is sourced from PubChem (CID 43504387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).