N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide

C16H19NO2 — CID 3071638

IUPACN-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide
SMILESCOc1ccc2cccc(CCN(C)C(C)=O)c2c1
InChIInChI=1S/C16H19NO2/c1-12(18)17(2)10-9-14-6-4-5-13-7-8-15(19-3)11-16(13)14/h4-8,11H,9-10H2,1-3H3
InChIKeyWAFITOYFMKERCL-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.87
Rot. Bonds4

About N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide

N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide (PubChem CID 3071638) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide
PubChem CID3071638
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC NameN-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide
SMILESCOc1ccc2cccc(CCN(C)C(C)=O)c2c1
InChIInChI=1S/C16H19NO2/c1-12(18)17(2)10-9-14-6-4-5-13-7-8-15(19-3)11-16(13)14/h4-8,11H,9-10H2,1-3H3
InChIKeyWAFITOYFMKERCL-UHFFFAOYSA-N
XLogP2.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide?
The IUPAC name of N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide (CID 3071638) is N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide is COc1ccc2cccc(CCN(C)C(C)=O)c2c1.
What is the InChIKey of N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide?
The InChIKey is WAFITOYFMKERCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12(18)17(2)10-9-14-6-4-5-13-7-8-15(19-3)11-16(13)14/h4-8,11H,9-10H2,1-3H3.
What are the key properties of N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide?
N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide has a molecular weight of 257.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxynaphthalen-1-yl)ethyl]-N-methylacetamide is sourced from PubChem (CID 3071638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).