2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide

C18H20N2O2 — CID 22683076

IUPAC2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide
SMILESCCCOc1ccc2ccccc2c1CCNC(=O)CC#N
InChIInChI=1S/C18H20N2O2/c1-2-13-22-17-8-7-14-5-3-4-6-15(14)16(17)10-12-20-18(21)9-11-19/h3-8H,2,9-10,12-13H2,1H3,(H,20,21)
InChIKeyJXIAOHNQJAUUHV-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.20
Rot. Bonds7

About 2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide

2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide (PubChem CID 22683076) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide
PubChem CID22683076
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide
SMILESCCCOc1ccc2ccccc2c1CCNC(=O)CC#N
InChIInChI=1S/C18H20N2O2/c1-2-13-22-17-8-7-14-5-3-4-6-15(14)16(17)10-12-20-18(21)9-11-19/h3-8H,2,9-10,12-13H2,1H3,(H,20,21)
InChIKeyJXIAOHNQJAUUHV-UHFFFAOYSA-N
XLogP3.20
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[(2-pentoxynaphthalen-1-yl)methyl]acetamide
CID 20992669
2-cyano-N-[2-[2-[(2-methylphenyl)methoxy]naphthalen-1-yl]ethyl]acetamide
CID 20988373
N-[2-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]ethyl]-2-cyanoacetamide
CID 20985777
2-cyano-N-[[2-(3-phenylpropoxy)naphthalen-1-yl]methyl]acetamide
CID 22686205
2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide
CID 22686514
N-[[2-[2-(4-chlorophenoxy)ethoxy]naphthalen-1-yl]methyl]-2-cyanoacetamide
CID 20989037
2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide
CID 22686324
2-[1-(methylaminomethyl)naphthalen-2-yl]oxy-N-propylacetamide
CID 43505510
1-ethyl-2-propoxynaphthalene
CID 129259410
2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide
CID 108537298
2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115173271
2-cyano-N-[[3-ethoxy-4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20990961

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide?
The IUPAC name of 2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide (CID 22683076) is 2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide is CCCOc1ccc2ccccc2c1CCNC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide?
The InChIKey is JXIAOHNQJAUUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-2-13-22-17-8-7-14-5-3-4-6-15(14)16(17)10-12-20-18(21)9-11-19/h3-8H,2,9-10,12-13H2,1H3,(H,20,21).
What are the key properties of 2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide?
2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide has a molecular weight of 296.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(2-propoxynaphthalen-1-yl)ethyl]acetamide is sourced from PubChem (CID 22683076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).