2-[4-[4-(dimethylamino)phenyl]phenyl]-3-oxa-1-azaspiro[4.5]dec-1-en-4-one

C22H24N2O2 — CID 67180719

IUPAC2-[4-[4-(dimethylamino)phenyl]phenyl]-3-oxa-1-azaspiro[4.5]dec-1-en-4-one
SMILESCN(C)c1ccc(-c2ccc(C3=NC4(CCCCC4)C(=O)O3)cc2)cc1
InChIInChI=1S/C22H24N2O2/c1-24(2)19-12-10-17(11-13-19)16-6-8-18(9-7-16)20-23-22(21(25)26-20)14-4-3-5-15-22/h6-13H,3-5,14-15H2,1-2H3
InChIKeyOFUMOFHAQGVECZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.43
Rot. Bonds3

About 2-[4-[4-(dimethylamino)phenyl]phenyl]-3-oxa-1-azaspiro[4.5]dec-1-en-4-one

2-[4-[4-(dimethylamino)phenyl]phenyl]-3-oxa-1-azaspiro[4.5]dec-1-en-4-one (PubChem CID 67180719) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[4-[4-(dimethylamino)phenyl]phenyl]-3-oxa-1-azaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-[4-[4-(dimethylamino)phenyl]phenyl]-3-oxa-1-azaspiro[4.5]dec-1-en-4-one
PubChem CID67180719
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-[4-[4-(dimethylamino)phenyl]phenyl]-3-oxa-1-azaspiro[4.5]dec-1-en-4-one
SMILESCN(C)c1ccc(-c2ccc(C3=NC4(CCCCC4)C(=O)O3)cc2)cc1
InChIInChI=1S/C22H24N2O2/c1-24(2)19-12-10-17(11-13-19)16-6-8-18(9-7-16)20-23-22(21(25)26-20)14-4-3-5-15-22/h6-13H,3-5,14-15H2,1-2H3
InChIKeyOFUMOFHAQGVECZ-UHFFFAOYSA-N
XLogP4.43
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(dimethylamino)phenyl]phenyl]-3-oxa-1-azaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-[4-[4-(dimethylamino)phenyl]phenyl]-3-oxa-1-azaspiro[4.5]dec-1-en-4-one (CID 67180719) is 2-[4-[4-(dimethylamino)phenyl]phenyl]-3-oxa-1-azaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-[4-[4-(dimethylamino)phenyl]phenyl]-3-oxa-1-azaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-[4-[4-(dimethylamino)phenyl]phenyl]-3-oxa-1-azaspiro[4.5]dec-1-en-4-one is CN(C)c1ccc(-c2ccc(C3=NC4(CCCCC4)C(=O)O3)cc2)cc1.
What is the InChIKey of 2-[4-[4-(dimethylamino)phenyl]phenyl]-3-oxa-1-azaspiro[4.5]dec-1-en-4-one?
The InChIKey is OFUMOFHAQGVECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-24(2)19-12-10-17(11-13-19)16-6-8-18(9-7-16)20-23-22(21(25)26-20)14-4-3-5-15-22/h6-13H,3-5,14-15H2,1-2H3.
What are the key properties of 2-[4-[4-(dimethylamino)phenyl]phenyl]-3-oxa-1-azaspiro[4.5]dec-1-en-4-one?
2-[4-[4-(dimethylamino)phenyl]phenyl]-3-oxa-1-azaspiro[4.5]dec-1-en-4-one has a molecular weight of 348.45 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(dimethylamino)phenyl]phenyl]-3-oxa-1-azaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 67180719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).