(1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one

C19H19NO3 — CID 101180542

IUPAC(1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one
SMILESCOc1ccc(N2C(=O)[C@]3(CCOC3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C19H19NO3/c1-22-16-9-7-15(8-10-16)20-17(14-5-3-2-4-6-14)19(18(20)21)11-12-23-13-19/h2-10,17H,11-13H2,1H3/t17-,19+/m1/s1
InChIKeyHOJNEWMNSMLWJN-MJGOQNOKSA-N
MW309.37 g/mol
LogP3.19
Rot. Bonds3

About (1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one

(1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one (PubChem CID 101180542) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name(1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one
PubChem CID101180542
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one
SMILESCOc1ccc(N2C(=O)[C@]3(CCOC3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C19H19NO3/c1-22-16-9-7-15(8-10-16)20-17(14-5-3-2-4-6-14)19(18(20)21)11-12-23-13-19/h2-10,17H,11-13H2,1H3/t17-,19+/m1/s1
InChIKeyHOJNEWMNSMLWJN-MJGOQNOKSA-N
XLogP3.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one?
The IUPAC name of (1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one (CID 101180542) is (1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one.
What is the SMILES notation for (1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one?
The canonical SMILES for (1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one is COc1ccc(N2C(=O)[C@]3(CCOC3)[C@H]2c2ccccc2)cc1.
What is the InChIKey of (1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one?
The InChIKey is HOJNEWMNSMLWJN-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H19NO3/c1-22-16-9-7-15(8-10-16)20-17(14-5-3-2-4-6-14)19(18(20)21)11-12-23-13-19/h2-10,17H,11-13H2,1H3/t17-,19+/m1/s1.
What are the key properties of (1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one?
(1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one has a molecular weight of 309.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-(4-methoxyphenyl)-1-phenyl-7-oxa-2-azaspiro[3.4]octan-3-one is sourced from PubChem (CID 101180542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).