(3R)-8-(4-chlorobenzoyl)-N-cyclopropyl-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

C26H28ClN3O5 — CID 93138696

About (3R)-8-(4-chlorobenzoyl)-N-cyclopropyl-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-8-(4-chlorobenzoyl)-N-cyclopropyl-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 93138696) has the molecular formula C26H28ClN3O5 and a molecular weight of 497.98 g/mol. Its IUPAC name is (3R)-8-(4-chlorobenzoyl)-N-cyclopropyl-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-8-(4-chlorobenzoyl)-N-cyclopropyl-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• PubChem CID: 93138696
• Molecular Formula: C26H28ClN3O5
• Molecular Weight: 497.98 g/mol
• Exact Mass: 497.17
• IUPAC Name: (3R)-8-(4-chlorobenzoyl)-N-cyclopropyl-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
• SMILES: COc1cccc(C(=O)N2[C@@H](C(=O)NC3CC3)COC23CCN(C(=O)c2ccc(Cl)cc2)CC3)c1
• InChI: InChI=1S/C26H28ClN3O5/c1-34-21-4-2-3-18(15-21)25(33)30-22(23(31)28-20-9-10-20)16-35-26(30)11-13-29(14-12-26)24(32)17-5-7-19(27)8-6-17/h2-8,15,20,22H,9-14,16H2,1H3,(H,28,31)/t22-/m1/s1
• InChIKey: RZAQPBFICYRPLY-JOCHJYFZSA-N
• XLogP: 3.10
• 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	497.98
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3R)-8-(4-chlorobenzoyl)-N-cyclopropyl-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide (CID 93138696) is (3R)-8-(4-chlorobenzoyl)-N-cyclopropyl-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide.

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

The canonical SMILES for (3R)-8-(4-chlorobenzoyl)-N-cyclopropyl-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is COc1cccc(C(=O)N2[C@@H](C(=O)NC3CC3)COC23CCN(C(=O)c2ccc(Cl)cc2)CC3)c1.

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

The InChIKey is RZAQPBFICYRPLY-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H28ClN3O5/c1-34-21-4-2-3-18(15-21)25(33)30-22(23(31)28-20-9-10-20)16-35-26(30)11-13-29(14-12-26)24(32)17-5-7-19(27)8-6-17/h2-8,15,20,22H,9-14,16H2,1H3,(H,28,31)/t22-/m1/s1.

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

(3R)-8-(4-chlorobenzoyl)-N-cyclopropyl-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 497.98 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-8-(4-chlorobenzoyl)-N-cyclopropyl-4-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 93138696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).