2-cyclohexyl-N-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide

C20H34N4O2 — CID 120868220

IUPAC2-cyclohexyl-N-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide
SMILESCNC(C)Cc1noc(C2CCC(NC(=O)CC3CCCCC3)CC2)n1
InChIInChI=1S/C20H34N4O2/c1-14(21-2)12-18-23-20(26-24-18)16-8-10-17(11-9-16)22-19(25)13-15-6-4-3-5-7-15/h14-17,21H,3-13H2,1-2H3,(H,22,25)
InChIKeyZDVIBBYHYMFARZ-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.33
Rot. Bonds7

About 2-cyclohexyl-N-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide

2-cyclohexyl-N-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide (PubChem CID 120868220) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-cyclohexyl-N-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide
PubChem CID120868220
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name2-cyclohexyl-N-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide
SMILESCNC(C)Cc1noc(C2CCC(NC(=O)CC3CCCCC3)CC2)n1
InChIInChI=1S/C20H34N4O2/c1-14(21-2)12-18-23-20(26-24-18)16-8-10-17(11-9-16)22-19(25)13-15-6-4-3-5-7-15/h14-17,21H,3-13H2,1-2H3,(H,22,25)
InChIKeyZDVIBBYHYMFARZ-UHFFFAOYSA-N
XLogP3.33
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide (CID 120868220) is 2-cyclohexyl-N-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide is CNC(C)Cc1noc(C2CCC(NC(=O)CC3CCCCC3)CC2)n1.
What is the InChIKey of 2-cyclohexyl-N-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide?
The InChIKey is ZDVIBBYHYMFARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-14(21-2)12-18-23-20(26-24-18)16-8-10-17(11-9-16)22-19(25)13-15-6-4-3-5-7-15/h14-17,21H,3-13H2,1-2H3,(H,22,25).
What are the key properties of 2-cyclohexyl-N-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide?
2-cyclohexyl-N-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide has a molecular weight of 362.52 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide is sourced from PubChem (CID 120868220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).