N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide

C13H22N2O2 — CID 62589490

IUPACN-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide
SMILESCCC1CCC(C#N)(NC(=O)CCOC)CC1
InChIInChI=1S/C13H22N2O2/c1-3-11-4-7-13(10-14,8-5-11)15-12(16)6-9-17-2/h11H,3-9H2,1-2H3,(H,15,16)
InChIKeyOPXHUEFXTLTBPU-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.00
Rot. Bonds5

About N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide

N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide (PubChem CID 62589490) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide
PubChem CID62589490
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide
SMILESCCC1CCC(C#N)(NC(=O)CCOC)CC1
InChIInChI=1S/C13H22N2O2/c1-3-11-4-7-13(10-14,8-5-11)15-12(16)6-9-17-2/h11H,3-9H2,1-2H3,(H,15,16)
InChIKeyOPXHUEFXTLTBPU-UHFFFAOYSA-N
XLogP2.00
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide?
The IUPAC name of N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide (CID 62589490) is N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide.
What is the SMILES notation for N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide?
The canonical SMILES for N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide is CCC1CCC(C#N)(NC(=O)CCOC)CC1.
What is the InChIKey of N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide?
The InChIKey is OPXHUEFXTLTBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-11-4-7-13(10-14,8-5-11)15-12(16)6-9-17-2/h11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide?
N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide has a molecular weight of 238.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide is sourced from PubChem (CID 62589490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).