(3R)-4-(4-fluorobenzoyl)-8-(3-methoxybenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

C26H30FN3O5 — CID 93136825

About (3R)-4-(4-fluorobenzoyl)-8-(3-methoxybenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-4-(4-fluorobenzoyl)-8-(3-methoxybenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 93136825) has the molecular formula C26H30FN3O5 and a molecular weight of 483.54 g/mol. Its IUPAC name is (3R)-4-(4-fluorobenzoyl)-8-(3-methoxybenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-4-(4-fluorobenzoyl)-8-(3-methoxybenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• PubChem CID: 93136825
• Molecular Formula: C26H30FN3O5
• Molecular Weight: 483.54 g/mol
• Exact Mass: 483.22
• IUPAC Name: (3R)-4-(4-fluorobenzoyl)-8-(3-methoxybenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• SMILES: COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC(C)C)N3C(=O)c2ccc(F)cc2)c1
• InChI: InChI=1S/C26H30FN3O5/c1-17(2)28-23(31)22-16-35-26(30(22)25(33)18-7-9-20(27)10-8-18)11-13-29(14-12-26)24(32)19-5-4-6-21(15-19)34-3/h4-10,15,17,22H,11-14,16H2,1-3H3,(H,28,31)/t22-/m1/s1
• InChIKey: UDNRTHXWPXRJPZ-JOCHJYFZSA-N
• XLogP: 2.83
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.54
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-fluorobenzoyl)-8-(3-methoxybenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?

The IUPAC name of (3R)-4-(4-fluorobenzoyl)-8-(3-methoxybenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 93136825) is (3R)-4-(4-fluorobenzoyl)-8-(3-methoxybenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

What is the SMILES notation for (3R)-4-(4-fluorobenzoyl)-8-(3-methoxybenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?

The canonical SMILES for (3R)-4-(4-fluorobenzoyl)-8-(3-methoxybenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is COc1cccc(C(=O)N2CCC3(CC2)OC[C@H](C(=O)NC(C)C)N3C(=O)c2ccc(F)cc2)c1.

What is the InChIKey of (3R)-4-(4-fluorobenzoyl)-8-(3-methoxybenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?

The InChIKey is UDNRTHXWPXRJPZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H30FN3O5/c1-17(2)28-23(31)22-16-35-26(30(22)25(33)18-7-9-20(27)10-8-18)11-13-29(14-12-26)24(32)19-5-4-6-21(15-19)34-3/h4-10,15,17,22H,11-14,16H2,1-3H3,(H,28,31)/t22-/m1/s1.

What are the key properties of (3R)-4-(4-fluorobenzoyl)-8-(3-methoxybenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide?

(3R)-4-(4-fluorobenzoyl)-8-(3-methoxybenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 483.54 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-(4-fluorobenzoyl)-8-(3-methoxybenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 93136825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).