2-[bis(4-chlorophenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C20H20Cl2N2O2 — CID 118962985

IUPAC2-[bis(4-chlorophenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESO=C1COC2(CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)CN1
InChIInChI=1S/C20H20Cl2N2O2/c21-16-5-1-14(2-6-16)19(15-3-7-17(22)8-4-15)24-10-9-20(13-24)12-23-18(25)11-26-20/h1-8,19H,9-13H2,(H,23,25)
InChIKeyPRSXKBUITLYZOV-UHFFFAOYSA-N
MW391.30 g/mol
LogP3.67
Rot. Bonds3

About 2-[bis(4-chlorophenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

2-[bis(4-chlorophenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 118962985) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 2-[bis(4-chlorophenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-[bis(4-chlorophenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID118962985
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name2-[bis(4-chlorophenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESO=C1COC2(CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)CN1
InChIInChI=1S/C20H20Cl2N2O2/c21-16-5-1-14(2-6-16)19(15-3-7-17(22)8-4-15)24-10-9-20(13-24)12-23-18(25)11-26-20/h1-8,19H,9-13H2,(H,23,25)
InChIKeyPRSXKBUITLYZOV-UHFFFAOYSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-chlorophenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of 2-[bis(4-chlorophenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 118962985) is 2-[bis(4-chlorophenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-[bis(4-chlorophenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-[bis(4-chlorophenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is O=C1COC2(CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)CN1.
What is the InChIKey of 2-[bis(4-chlorophenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is PRSXKBUITLYZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c21-16-5-1-14(2-6-16)19(15-3-7-17(22)8-4-15)24-10-9-20(13-24)12-23-18(25)11-26-20/h1-8,19H,9-13H2,(H,23,25).
What are the key properties of 2-[bis(4-chlorophenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
2-[bis(4-chlorophenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 391.30 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-chlorophenyl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 118962985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).