N-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide

C16H19NO3 — CID 43505701

IUPACN-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide
SMILESCCN(C)C(=O)COc1ccc2ccccc2c1CO
InChIInChI=1S/C16H19NO3/c1-3-17(2)16(19)11-20-15-9-8-12-6-4-5-7-13(12)14(15)10-18/h4-9,18H,3,10-11H2,1-2H3
InChIKeyFCSWGUDNCBUXAI-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.19
Rot. Bonds5

About N-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide

N-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide (PubChem CID 43505701) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide
PubChem CID43505701
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide
SMILESCCN(C)C(=O)COc1ccc2ccccc2c1CO
InChIInChI=1S/C16H19NO3/c1-3-17(2)16(19)11-20-15-9-8-12-6-4-5-7-13(12)14(15)10-18/h4-9,18H,3,10-11H2,1-2H3
InChIKeyFCSWGUDNCBUXAI-UHFFFAOYSA-N
XLogP2.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide
CID 43505758
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid
CID 43505649
[2-(methoxymethoxy)naphthalen-1-yl]methanol
CID 65364950
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide
CID 39949555
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-ethyl-N-methylacetamide
CID 43309787
[2-(2-propoxyethoxy)naphthalen-1-yl]methanol
CID 106453720
N-ethyl-2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-methylacetamide
CID 43309789
3-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-propan-2-ylpropanamide
CID 62626433
2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
CID 4769726
2-(8-aminoquinolin-5-yl)oxy-N-ethyl-N-methylacetamide
CID 116524643
[2-(3-methylbutoxy)naphthalen-1-yl]methanol
CID 43505713
2-[(2-amino-6-methyl-3-pyridinyl)oxy]-N-ethyl-N-methylacetamide
CID 62097636

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide?
The IUPAC name of N-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide (CID 43505701) is N-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide is CCN(C)C(=O)COc1ccc2ccccc2c1CO.
What is the InChIKey of N-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide?
The InChIKey is FCSWGUDNCBUXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-3-17(2)16(19)11-20-15-9-8-12-6-4-5-7-13(12)14(15)10-18/h4-9,18H,3,10-11H2,1-2H3.
What are the key properties of N-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide?
N-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide has a molecular weight of 273.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide is sourced from PubChem (CID 43505701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).