(3R)-4-benzoyl-8-(2-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

C26H31N3O4 — CID 93137292

About (3R)-4-benzoyl-8-(2-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-4-benzoyl-8-(2-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 93137292) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is (3R)-4-benzoyl-8-(2-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-4-benzoyl-8-(2-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• PubChem CID: 93137292
• Molecular Formula: C26H31N3O4
• Molecular Weight: 449.55 g/mol
• Exact Mass: 449.23
• IUPAC Name: (3R)-4-benzoyl-8-(2-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• SMILES: CCCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccccc3C)CC2)N1C(=O)c1ccccc1
• InChI: InChI=1S/C26H31N3O4/c1-3-15-27-23(30)22-18-33-26(29(22)24(31)20-10-5-4-6-11-20)13-16-28(17-14-26)25(32)21-12-8-7-9-19(21)2/h4-12,22H,3,13-18H2,1-2H3,(H,27,30)/t22-/m1/s1
• InChIKey: KLMDMFOBLRCFFK-JOCHJYFZSA-N
• XLogP: 2.99
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.55
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (3R)-4-benzoyl-8-(2-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 93137292) is (3R)-4-benzoyl-8-(2-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

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

The canonical SMILES for (3R)-4-benzoyl-8-(2-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is CCCNC(=O)[C@H]1COC2(CCN(C(=O)c3ccccc3C)CC2)N1C(=O)c1ccccc1.

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

The InChIKey is KLMDMFOBLRCFFK-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-3-15-27-23(30)22-18-33-26(29(22)24(31)20-10-5-4-6-11-20)13-16-28(17-14-26)25(32)21-12-8-7-9-19(21)2/h4-12,22H,3,13-18H2,1-2H3,(H,27,30)/t22-/m1/s1.

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

(3R)-4-benzoyl-8-(2-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-benzoyl-8-(2-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 93137292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).