2-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide

C20H34N6O3 — CID 146067279

About 2-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide

2-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 146067279) has the molecular formula C20H34N6O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

• Compound Name: 2-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
• PubChem CID: 146067279
• Molecular Formula: C20H34N6O3
• Molecular Weight: 406.53 g/mol
• Exact Mass: 406.27
• IUPAC Name: 2-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
• SMILES: CCNC(=O)N1CCC2(CC1)CC(c1nnc(C(C)C)o1)N(CC(=O)N(C)C)C2
• InChI: InChI=1S/C20H34N6O3/c1-6-21-19(28)25-9-7-20(8-10-25)11-15(18-23-22-17(29-18)14(2)3)26(13-20)12-16(27)24(4)5/h14-15H,6-13H2,1-5H3,(H,21,28)
• InChIKey: XMQUYKVJRHXYOG-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 94.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.53
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide?

The IUPAC name of 2-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 146067279) is 2-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide.

What is the SMILES notation for 2-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide?

The canonical SMILES for 2-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide is CCNC(=O)N1CCC2(CC1)CC(c1nnc(C(C)C)o1)N(CC(=O)N(C)C)C2.

What is the InChIKey of 2-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide?

The InChIKey is XMQUYKVJRHXYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O3/c1-6-21-19(28)25-9-7-20(8-10-25)11-15(18-23-22-17(29-18)14(2)3)26(13-20)12-16(27)24(4)5/h14-15H,6-13H2,1-5H3,(H,21,28).

What are the key properties of 2-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide?

2-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 146067279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).