N-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide

C19H23N3O3 — CID 51259733

IUPACN-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C19H23N3O3/c1-3-24-17-11-15(12-20)7-8-16(17)25-13-18(23)22(2)19(14-21)9-5-4-6-10-19/h7-8,11H,3-6,9-10,13H2,1-2H3
InChIKeyWOYGWXOCQOIOKW-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.02
Rot. Bonds6

About N-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide

N-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide (PubChem CID 51259733) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide
PubChem CID51259733
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C19H23N3O3/c1-3-24-17-11-15(12-20)7-8-16(17)25-13-18(23)22(2)19(14-21)9-5-4-6-10-19/h7-8,11H,3-6,9-10,13H2,1-2H3
InChIKeyWOYGWXOCQOIOKW-UHFFFAOYSA-N
XLogP3.02
TPSA86.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide (CID 51259733) is N-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide is CCOc1cc(C#N)ccc1OCC(=O)N(C)C1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide?
The InChIKey is WOYGWXOCQOIOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-24-17-11-15(12-20)7-8-16(17)25-13-18(23)22(2)19(14-21)9-5-4-6-10-19/h7-8,11H,3-6,9-10,13H2,1-2H3.
What are the key properties of N-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide?
N-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide has a molecular weight of 341.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide is sourced from PubChem (CID 51259733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).