2-N-benzyl-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

C19H27N3O3 — CID 91924902

IUPAC2-N-benzyl-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCN(C)C(=O)C1CN(C(=O)NCc2ccccc2)CC12CCOCC2
InChIInChI=1S/C19H27N3O3/c1-21(2)17(23)16-13-22(14-19(16)8-10-25-11-9-19)18(24)20-12-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,20,24)
InChIKeyYXZOOENBXZKMFZ-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.71
Rot. Bonds3

About 2-N-benzyl-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

2-N-benzyl-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (PubChem CID 91924902) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-N-benzyl-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
PubChem CID91924902
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-N-benzyl-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCN(C)C(=O)C1CN(C(=O)NCc2ccccc2)CC12CCOCC2
InChIInChI=1S/C19H27N3O3/c1-21(2)17(23)16-13-22(14-19(16)8-10-25-11-9-19)18(24)20-12-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,20,24)
InChIKeyYXZOOENBXZKMFZ-UHFFFAOYSA-N
XLogP1.71
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The IUPAC name of 2-N-benzyl-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (CID 91924902) is 2-N-benzyl-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The canonical SMILES for 2-N-benzyl-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is CN(C)C(=O)C1CN(C(=O)NCc2ccccc2)CC12CCOCC2.
What is the InChIKey of 2-N-benzyl-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The InChIKey is YXZOOENBXZKMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-21(2)17(23)16-13-22(14-19(16)8-10-25-11-9-19)18(24)20-12-15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3,(H,20,24).
What are the key properties of 2-N-benzyl-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
2-N-benzyl-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is sourced from PubChem (CID 91924902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).