N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-(2-ethyloxan-4-yl)acetamide

C20H26N2O2 — CID 136532238

IUPACN-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-(2-ethyloxan-4-yl)acetamide
SMILESCCC1CC(CC(=O)NC2(C#N)CCc3ccccc3C2)CCO1
InChIInChI=1S/C20H26N2O2/c1-2-18-11-15(8-10-24-18)12-19(23)22-20(14-21)9-7-16-5-3-4-6-17(16)13-20/h3-6,15,18H,2,7-13H2,1H3,(H,22,23)
InChIKeyFRECXDWADVTFLT-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.15
Rot. Bonds4

About N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-(2-ethyloxan-4-yl)acetamide

N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-(2-ethyloxan-4-yl)acetamide (PubChem CID 136532238) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-(2-ethyloxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-(2-ethyloxan-4-yl)acetamide
PubChem CID136532238
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-(2-ethyloxan-4-yl)acetamide
SMILESCCC1CC(CC(=O)NC2(C#N)CCc3ccccc3C2)CCO1
InChIInChI=1S/C20H26N2O2/c1-2-18-11-15(8-10-24-18)12-19(23)22-20(14-21)9-7-16-5-3-4-6-17(16)13-20/h3-6,15,18H,2,7-13H2,1H3,(H,22,23)
InChIKeyFRECXDWADVTFLT-UHFFFAOYSA-N
XLogP3.15
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-(2-ethyloxan-4-yl)acetamide?
The IUPAC name of N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-(2-ethyloxan-4-yl)acetamide (CID 136532238) is N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-(2-ethyloxan-4-yl)acetamide.
What is the SMILES notation for N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-(2-ethyloxan-4-yl)acetamide?
The canonical SMILES for N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-(2-ethyloxan-4-yl)acetamide is CCC1CC(CC(=O)NC2(C#N)CCc3ccccc3C2)CCO1.
What is the InChIKey of N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-(2-ethyloxan-4-yl)acetamide?
The InChIKey is FRECXDWADVTFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-2-18-11-15(8-10-24-18)12-19(23)22-20(14-21)9-7-16-5-3-4-6-17(16)13-20/h3-6,15,18H,2,7-13H2,1H3,(H,22,23).
What are the key properties of N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-(2-ethyloxan-4-yl)acetamide?
N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-(2-ethyloxan-4-yl)acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3,4-dihydro-1H-naphthalen-2-yl)-2-(2-ethyloxan-4-yl)acetamide is sourced from PubChem (CID 136532238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).