N,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide

C17H21NO3 — CID 43505758

IUPACN,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide
SMILESCCN(CC)C(=O)COc1ccc2ccccc2c1CO
InChIInChI=1S/C17H21NO3/c1-3-18(4-2)17(20)12-21-16-10-9-13-7-5-6-8-14(13)15(16)11-19/h5-10,19H,3-4,11-12H2,1-2H3
InChIKeyDDYHNLGRMPEWFY-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.58
Rot. Bonds6

About N,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide

N,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide (PubChem CID 43505758) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide
PubChem CID43505758
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide
SMILESCCN(CC)C(=O)COc1ccc2ccccc2c1CO
InChIInChI=1S/C17H21NO3/c1-3-18(4-2)17(20)12-21-16-10-9-13-7-5-6-8-14(13)15(16)11-19/h5-10,19H,3-4,11-12H2,1-2H3
InChIKeyDDYHNLGRMPEWFY-UHFFFAOYSA-N
XLogP2.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-N-methylacetamide
CID 43505701
[2-(methoxymethoxy)naphthalen-1-yl]methanol
CID 65364950
2-(4-chloronaphthalen-1-yl)oxy-N,N-diethylacetamide
CID 112779036
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-methylamino]-N,N-diethylacetamide
CID 39949555
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
[2-(2-propoxyethoxy)naphthalen-1-yl]methanol
CID 106453720
2-[4-(4-cyanophenyl)naphthalen-1-yl]oxy-N,N-diethylacetamide
CID 172658991
2-[1-(hydroxymethyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
CID 4769726
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]naphthalene-1-carboxylic acid
CID 43505649
[2-(3-methylbutoxy)naphthalen-1-yl]methanol
CID 43505713
2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide
CID 16771866

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide?
The IUPAC name of N,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide (CID 43505758) is N,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide.
What is the SMILES notation for N,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide?
The canonical SMILES for N,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide is CCN(CC)C(=O)COc1ccc2ccccc2c1CO.
What is the InChIKey of N,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide?
The InChIKey is DDYHNLGRMPEWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-3-18(4-2)17(20)12-21-16-10-9-13-7-5-6-8-14(13)15(16)11-19/h5-10,19H,3-4,11-12H2,1-2H3.
What are the key properties of N,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide?
N,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide has a molecular weight of 287.36 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[1-(hydroxymethyl)naphthalen-2-yl]oxyacetamide is sourced from PubChem (CID 43505758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).