8-cyano-N,N-dimethyl-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide

C18H21N3O2 — CID 167990294

IUPAC8-cyano-N,N-dimethyl-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCN(C)C(=O)C1=NOC2(CCC(C#N)(c3ccccc3)CC2)C1
InChIInChI=1S/C18H21N3O2/c1-21(2)16(22)15-12-18(23-20-15)10-8-17(13-19,9-11-18)14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3
InChIKeyVGPWXCVDPREQOO-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.63
Rot. Bonds2

About 8-cyano-N,N-dimethyl-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide

8-cyano-N,N-dimethyl-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 167990294) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 8-cyano-N,N-dimethyl-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound Name8-cyano-N,N-dimethyl-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID167990294
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name8-cyano-N,N-dimethyl-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide
SMILESCN(C)C(=O)C1=NOC2(CCC(C#N)(c3ccccc3)CC2)C1
InChIInChI=1S/C18H21N3O2/c1-21(2)16(22)15-12-18(23-20-15)10-8-17(13-19,9-11-18)14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3
InChIKeyVGPWXCVDPREQOO-UHFFFAOYSA-N
XLogP2.63
TPSA65.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-cyano-N,N-dimethyl-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of 8-cyano-N,N-dimethyl-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide (CID 167990294) is 8-cyano-N,N-dimethyl-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for 8-cyano-N,N-dimethyl-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for 8-cyano-N,N-dimethyl-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide is CN(C)C(=O)C1=NOC2(CCC(C#N)(c3ccccc3)CC2)C1.
What is the InChIKey of 8-cyano-N,N-dimethyl-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is VGPWXCVDPREQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-21(2)16(22)15-12-18(23-20-15)10-8-17(13-19,9-11-18)14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3.
What are the key properties of 8-cyano-N,N-dimethyl-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide?
8-cyano-N,N-dimethyl-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyano-N,N-dimethyl-8-phenyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 167990294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).