2-(cyclohexylmethyl)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-hydroxypentan-2-yl]-4-morpholin-4-yl-4-oxobutanamide

C24H40N4O5 — CID 22054086

IUPAC2-(cyclohexylmethyl)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-hydroxypentan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
SMILESCCCC(NC(=O)C(CC(=O)N1CCOCC1)CC1CCCCC1)C(O)c1nnc(CC)o1
InChIInChI=1S/C24H40N4O5/c1-3-8-19(22(30)24-27-26-20(4-2)33-24)25-23(31)18(15-17-9-6-5-7-10-17)16-21(29)28-11-13-32-14-12-28/h17-19,22,30H,3-16H2,1-2H3,(H,25,31)
InChIKeyUWFSQRJVRZTRSE-UHFFFAOYSA-N
MW464.61 g/mol
LogP2.79
Rot. Bonds11

About 2-(cyclohexylmethyl)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-hydroxypentan-2-yl]-4-morpholin-4-yl-4-oxobutanamide

2-(cyclohexylmethyl)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-hydroxypentan-2-yl]-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 22054086) has the molecular formula C24H40N4O5 and a molecular weight of 464.61 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-hydroxypentan-2-yl]-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-hydroxypentan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
PubChem CID22054086
Molecular FormulaC24H40N4O5
Molecular Weight464.61 g/mol
Exact Mass464.30
IUPAC Name2-(cyclohexylmethyl)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-hydroxypentan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
SMILESCCCC(NC(=O)C(CC(=O)N1CCOCC1)CC1CCCCC1)C(O)c1nnc(CC)o1
InChIInChI=1S/C24H40N4O5/c1-3-8-19(22(30)24-27-26-20(4-2)33-24)25-23(31)18(15-17-9-6-5-7-10-17)16-21(29)28-11-13-32-14-12-28/h17-19,22,30H,3-16H2,1-2H3,(H,25,31)
InChIKeyUWFSQRJVRZTRSE-UHFFFAOYSA-N
XLogP2.79
TPSA117.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-hydroxypentan-2-yl]-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of 2-(cyclohexylmethyl)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-hydroxypentan-2-yl]-4-morpholin-4-yl-4-oxobutanamide (CID 22054086) is 2-(cyclohexylmethyl)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-hydroxypentan-2-yl]-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for 2-(cyclohexylmethyl)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-hydroxypentan-2-yl]-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for 2-(cyclohexylmethyl)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-hydroxypentan-2-yl]-4-morpholin-4-yl-4-oxobutanamide is CCCC(NC(=O)C(CC(=O)N1CCOCC1)CC1CCCCC1)C(O)c1nnc(CC)o1.
What is the InChIKey of 2-(cyclohexylmethyl)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-hydroxypentan-2-yl]-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is UWFSQRJVRZTRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O5/c1-3-8-19(22(30)24-27-26-20(4-2)33-24)25-23(31)18(15-17-9-6-5-7-10-17)16-21(29)28-11-13-32-14-12-28/h17-19,22,30H,3-16H2,1-2H3,(H,25,31).
What are the key properties of 2-(cyclohexylmethyl)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-hydroxypentan-2-yl]-4-morpholin-4-yl-4-oxobutanamide?
2-(cyclohexylmethyl)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-hydroxypentan-2-yl]-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 464.61 g/mol, XLogP of 2.79, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-N-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)-1-hydroxypentan-2-yl]-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 22054086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).