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

C25H35N3O5 — CID 42821011

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

4-(2-methylbenzoyl)-8-(2-methylpropanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 42821011) has the molecular formula C25H35N3O5 and a molecular weight of 457.57 g/mol. Its IUPAC name is 4-(2-methylbenzoyl)-8-(2-methylpropanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

• Compound Name: 4-(2-methylbenzoyl)-8-(2-methylpropanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• PubChem CID: 42821011
• Molecular Formula: C25H35N3O5
• Molecular Weight: 457.57 g/mol
• Exact Mass: 457.26
• IUPAC Name: 4-(2-methylbenzoyl)-8-(2-methylpropanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• SMILES: Cc1ccccc1C(=O)N1C(C(=O)NCC2CCCO2)COC12CCN(C(=O)C(C)C)CC2
• InChI: InChI=1S/C25H35N3O5/c1-17(2)23(30)27-12-10-25(11-13-27)28(24(31)20-9-5-4-7-18(20)3)21(16-33-25)22(29)26-15-19-8-6-14-32-19/h4-5,7,9,17,19,21H,6,8,10-16H2,1-3H3,(H,26,29)
• InChIKey: SVSXUHOUCDPGCQ-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.57
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-(2-methylbenzoyl)-8-(2-methylpropanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 42821011) is 4-(2-methylbenzoyl)-8-(2-methylpropanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

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

The canonical SMILES for 4-(2-methylbenzoyl)-8-(2-methylpropanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is Cc1ccccc1C(=O)N1C(C(=O)NCC2CCCO2)COC12CCN(C(=O)C(C)C)CC2.

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

The InChIKey is SVSXUHOUCDPGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O5/c1-17(2)23(30)27-12-10-25(11-13-27)28(24(31)20-9-5-4-7-18(20)3)21(16-33-25)22(29)26-15-19-8-6-14-32-19/h4-5,7,9,17,19,21H,6,8,10-16H2,1-3H3,(H,26,29).

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

4-(2-methylbenzoyl)-8-(2-methylpropanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 457.57 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-methylbenzoyl)-8-(2-methylpropanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 42821011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).