2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl]pyrrolidine-1-carboxamide

C18H30N4O4 — CID 70788225

About 2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl]pyrrolidine-1-carboxamide

2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl]pyrrolidine-1-carboxamide (PubChem CID 70788225) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: 2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl]pyrrolidine-1-carboxamide
• PubChem CID: 70788225
• Molecular Formula: C18H30N4O4
• Molecular Weight: 366.46 g/mol
• Exact Mass: 366.23
• IUPAC Name: 2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl]pyrrolidine-1-carboxamide
• SMILES: CC(C)CCN1CC2(CCN(C(=O)C3CCCN3C(N)=O)CC2)OC1=O
• InChI: InChI=1S/C18H30N4O4/c1-13(2)5-9-21-12-18(26-17(21)25)6-10-20(11-7-18)15(23)14-4-3-8-22(14)16(19)24/h13-14H,3-12H2,1-2H3,(H2,19,24)
• InChIKey: COWPYBKDPALQTO-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 96.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.46
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl]pyrrolidine-1-carboxamide?

The IUPAC name of 2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl]pyrrolidine-1-carboxamide (CID 70788225) is 2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl]pyrrolidine-1-carboxamide.

What is the SMILES notation for 2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl]pyrrolidine-1-carboxamide?

The canonical SMILES for 2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl]pyrrolidine-1-carboxamide is CC(C)CCN1CC2(CCN(C(=O)C3CCCN3C(N)=O)CC2)OC1=O.

What is the InChIKey of 2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl]pyrrolidine-1-carboxamide?

The InChIKey is COWPYBKDPALQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-13(2)5-9-21-12-18(26-17(21)25)6-10-20(11-7-18)15(23)14-4-3-8-22(14)16(19)24/h13-14H,3-12H2,1-2H3,(H2,19,24).

What are the key properties of 2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl]pyrrolidine-1-carboxamide?

2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl]pyrrolidine-1-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 70788225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).