(3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methylphenyl)methanone

C22H24N2O2 — CID 134794205

IUPAC(3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC3(CC(Cc4ccccc4)=NO3)C2)cc1
InChIInChI=1S/C22H24N2O2/c1-17-8-10-19(11-9-17)21(25)24-13-5-12-22(16-24)15-20(23-26-22)14-18-6-3-2-4-7-18/h2-4,6-11H,5,12-16H2,1H3
InChIKeyMRPUHIAYOAAKIV-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.99
Rot. Bonds3

About (3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methylphenyl)methanone

(3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methylphenyl)methanone (PubChem CID 134794205) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methylphenyl)methanone
PubChem CID134794205
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCCC3(CC(Cc4ccccc4)=NO3)C2)cc1
InChIInChI=1S/C22H24N2O2/c1-17-8-10-19(11-9-17)21(25)24-13-5-12-22(16-24)15-20(23-26-22)14-18-6-3-2-4-7-18/h2-4,6-11H,5,12-16H2,1H3
InChIKeyMRPUHIAYOAAKIV-UHFFFAOYSA-N
XLogP3.99
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methylphenyl)methanone?
The IUPAC name of (3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methylphenyl)methanone (CID 134794205) is (3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCCC3(CC(Cc4ccccc4)=NO3)C2)cc1.
What is the InChIKey of (3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methylphenyl)methanone?
The InChIKey is MRPUHIAYOAAKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-17-8-10-19(11-9-17)21(25)24-13-5-12-22(16-24)15-20(23-26-22)14-18-6-3-2-4-7-18/h2-4,6-11H,5,12-16H2,1H3.
What are the key properties of (3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methylphenyl)methanone?
(3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methylphenyl)methanone has a molecular weight of 348.45 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 134794205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).