8-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C23H25Cl3N2O3 — CID 3077326

About 8-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 3077326) has the molecular formula C23H25Cl3N2O3 and a molecular weight of 483.82 g/mol. Its IUPAC name is 8-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 3077326
• Molecular Formula: C23H25Cl3N2O3
• Molecular Weight: 483.82 g/mol
• Exact Mass: 482.09
• IUPAC Name: 8-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: CC1(O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)OC12CCN(CCc1ccc(Cl)cc1)CC2
• InChI: InChI=1S/C23H25Cl3N2O3/c1-22(30)23(31-21(29)28(22)15-17-4-7-19(25)20(26)14-17)9-12-27(13-10-23)11-8-16-2-5-18(24)6-3-16/h2-7,14,30H,8-13,15H2,1H3
• InChIKey: UNIVHAAEZFTHDR-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 53.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.82
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 8-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 3077326) is 8-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 8-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 8-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC1(O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)OC12CCN(CCc1ccc(Cl)cc1)CC2.

What is the InChIKey of 8-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is UNIVHAAEZFTHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl3N2O3/c1-22(30)23(31-21(29)28(22)15-17-4-7-19(25)20(26)14-17)9-12-27(13-10-23)11-8-16-2-5-18(24)6-3-16/h2-7,14,30H,8-13,15H2,1H3.

What are the key properties of 8-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

8-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 483.82 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 3077326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).