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

C23H26Cl4N2O3 — CID 3077325

IUPAC8-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCC1(O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)OC12CCN(CCc1ccc(Cl)cc1)CC2.Cl
InChIInChI=1S/C23H25Cl3N2O3.ClH/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;1H
InChIKeyGLPDNYFQAPURLX-UHFFFAOYSA-N
MW520.28 g/mol
LogP5.81
Rot. Bonds5

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;hydrochloride

8-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (PubChem CID 3077325) has the molecular formula C23H26Cl4N2O3 and a molecular weight of 520.28 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;hydrochloride.

Molecular Properties

Compound Name8-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
PubChem CID3077325
Molecular FormulaC23H26Cl4N2O3
Molecular Weight520.28 g/mol
Exact Mass518.07
IUPAC Name8-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCC1(O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)OC12CCN(CCc1ccc(Cl)cc1)CC2.Cl
InChIInChI=1S/C23H25Cl3N2O3.ClH/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;1H
InChIKeyGLPDNYFQAPURLX-UHFFFAOYSA-N
XLogP5.81
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.28
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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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;hydrochloride?
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;hydrochloride (CID 3077325) 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;hydrochloride.
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;hydrochloride?
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;hydrochloride is CC1(O)N(Cc2ccc(Cl)c(Cl)c2)C(=O)OC12CCN(CCc1ccc(Cl)cc1)CC2.Cl.
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;hydrochloride?
The InChIKey is GLPDNYFQAPURLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl3N2O3.ClH/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;1H.
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;hydrochloride?
8-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride has a molecular weight of 520.28 g/mol, XLogP of 5.81, 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;hydrochloride is sourced from PubChem (CID 3077325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).