(3R,5R,7R)-4-(2-fluorobenzoyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C22H29FN2O4 — CID 129423276

About (3R,5R,7R)-4-(2-fluorobenzoyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

(3R,5R,7R)-4-(2-fluorobenzoyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 129423276) has the molecular formula C22H29FN2O4 and a molecular weight of 404.48 g/mol. Its IUPAC name is (3R,5R,7R)-4-(2-fluorobenzoyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

• Compound Name: (3R,5R,7R)-4-(2-fluorobenzoyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
• PubChem CID: 129423276
• Molecular Formula: C22H29FN2O4
• Molecular Weight: 404.48 g/mol
• Exact Mass: 404.21
• IUPAC Name: (3R,5R,7R)-4-(2-fluorobenzoyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
• SMILES: C[C@@H]1CCC[C@]2(C1)OC[C@H](C(=O)NC[C@H]1CCCO1)N2C(=O)c1ccccc1F
• InChI: InChI=1S/C22H29FN2O4/c1-15-6-4-10-22(12-15)25(21(27)17-8-2-3-9-18(17)23)19(14-29-22)20(26)24-13-16-7-5-11-28-16/h2-3,8-9,15-16,19H,4-7,10-14H2,1H3,(H,24,26)/t15-,16-,19-,22-/m1/s1
• InChIKey: UPTOCFXESRZPHN-CASVQKDBSA-N
• XLogP: 2.87
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.48
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R,5R,7R)-4-(2-fluorobenzoyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?

The IUPAC name of (3R,5R,7R)-4-(2-fluorobenzoyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 129423276) is (3R,5R,7R)-4-(2-fluorobenzoyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

What is the SMILES notation for (3R,5R,7R)-4-(2-fluorobenzoyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?

The canonical SMILES for (3R,5R,7R)-4-(2-fluorobenzoyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is C[C@@H]1CCC[C@]2(C1)OC[C@H](C(=O)NC[C@H]1CCCO1)N2C(=O)c1ccccc1F.

What is the InChIKey of (3R,5R,7R)-4-(2-fluorobenzoyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?

The InChIKey is UPTOCFXESRZPHN-CASVQKDBSA-N. The full InChI is InChI=1S/C22H29FN2O4/c1-15-6-4-10-22(12-15)25(21(27)17-8-2-3-9-18(17)23)19(14-29-22)20(26)24-13-16-7-5-11-28-16/h2-3,8-9,15-16,19H,4-7,10-14H2,1H3,(H,24,26)/t15-,16-,19-,22-/m1/s1.

What are the key properties of (3R,5R,7R)-4-(2-fluorobenzoyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?

(3R,5R,7R)-4-(2-fluorobenzoyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 404.48 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5R,7R)-4-(2-fluorobenzoyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 129423276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).