8-(3-methoxybenzoyl)-4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

C29H35N3O7 — CID 42820876

About 8-(3-methoxybenzoyl)-4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

8-(3-methoxybenzoyl)-4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 42820876) has the molecular formula C29H35N3O7 and a molecular weight of 537.61 g/mol. Its IUPAC name is 8-(3-methoxybenzoyl)-4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

• Compound Name: 8-(3-methoxybenzoyl)-4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• PubChem CID: 42820876
• Molecular Formula: C29H35N3O7
• Molecular Weight: 537.61 g/mol
• Exact Mass: 537.25
• IUPAC Name: 8-(3-methoxybenzoyl)-4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• SMILES: COc1ccc(C(=O)N2C(C(=O)NCC3CCCO3)COC23CCN(C(=O)c2cccc(OC)c2)CC3)cc1
• InChI: InChI=1S/C29H35N3O7/c1-36-22-10-8-20(9-11-22)28(35)32-25(26(33)30-18-24-7-4-16-38-24)19-39-29(32)12-14-31(15-13-29)27(34)21-5-3-6-23(17-21)37-2/h3,5-6,8-11,17,24-25H,4,7,12-16,18-19H2,1-2H3,(H,30,33)
• InChIKey: UNOAPARTNHKQPM-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 106.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.61
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 8-(3-methoxybenzoyl)-4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 42820876) is 8-(3-methoxybenzoyl)-4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

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

The canonical SMILES for 8-(3-methoxybenzoyl)-4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is COc1ccc(C(=O)N2C(C(=O)NCC3CCCO3)COC23CCN(C(=O)c2cccc(OC)c2)CC3)cc1.

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

The InChIKey is UNOAPARTNHKQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O7/c1-36-22-10-8-20(9-11-22)28(35)32-25(26(33)30-18-24-7-4-16-38-24)19-39-29(32)12-14-31(15-13-29)27(34)21-5-3-6-23(17-21)37-2/h3,5-6,8-11,17,24-25H,4,7,12-16,18-19H2,1-2H3,(H,30,33).

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

8-(3-methoxybenzoyl)-4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 537.61 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-methoxybenzoyl)-4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 42820876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).