2-benzhydryl-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one

C22H26N2O2 — CID 137370531

IUPAC2-benzhydryl-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
SMILESCCN1CC2(CN(C(c3ccccc3)c3ccccc3)C2)OC(C)C1=O
InChIInChI=1S/C22H26N2O2/c1-3-23-14-22(26-17(2)21(23)25)15-24(16-22)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20H,3,14-16H2,1-2H3
InChIKeyGTXZZWDGEWFMMT-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.10
Rot. Bonds4

About 2-benzhydryl-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one

2-benzhydryl-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (PubChem CID 137370531) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-benzhydryl-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.

Molecular Properties

Compound Name2-benzhydryl-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
PubChem CID137370531
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-benzhydryl-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
SMILESCCN1CC2(CN(C(c3ccccc3)c3ccccc3)C2)OC(C)C1=O
InChIInChI=1S/C22H26N2O2/c1-3-23-14-22(26-17(2)21(23)25)15-24(16-22)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20H,3,14-16H2,1-2H3
InChIKeyGTXZZWDGEWFMMT-UHFFFAOYSA-N
XLogP3.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The IUPAC name of 2-benzhydryl-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (CID 137370531) is 2-benzhydryl-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.
What is the SMILES notation for 2-benzhydryl-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The canonical SMILES for 2-benzhydryl-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is CCN1CC2(CN(C(c3ccccc3)c3ccccc3)C2)OC(C)C1=O.
What is the InChIKey of 2-benzhydryl-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The InChIKey is GTXZZWDGEWFMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-23-14-22(26-17(2)21(23)25)15-24(16-22)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,20H,3,14-16H2,1-2H3.
What are the key properties of 2-benzhydryl-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
2-benzhydryl-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one has a molecular weight of 350.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-8-ethyl-6-methyl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is sourced from PubChem (CID 137370531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).