(5R)-9-[(3-phenylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

C22H25NO2 — CID 95719727

IUPAC(5R)-9-[(3-phenylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESO=C1CC[C@]2(CCCO2)CCN1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H25NO2/c24-21-10-12-22(11-5-15-25-22)13-14-23(21)17-18-6-4-9-20(16-18)19-7-2-1-3-8-19/h1-4,6-9,16H,5,10-15,17H2/t22-/m1/s1
InChIKeySKMULIPPDKPUJC-JOCHJYFZSA-N
MW335.45 g/mol
LogP4.42
Rot. Bonds3

About (5R)-9-[(3-phenylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

(5R)-9-[(3-phenylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (PubChem CID 95719727) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (5R)-9-[(3-phenylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.

Molecular Properties

Compound Name(5R)-9-[(3-phenylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
PubChem CID95719727
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name(5R)-9-[(3-phenylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESO=C1CC[C@]2(CCCO2)CCN1Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C22H25NO2/c24-21-10-12-22(11-5-15-25-22)13-14-23(21)17-18-6-4-9-20(16-18)19-7-2-1-3-8-19/h1-4,6-9,16H,5,10-15,17H2/t22-/m1/s1
InChIKeySKMULIPPDKPUJC-JOCHJYFZSA-N
XLogP4.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-9-[(4-tert-butylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95524921
(5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95730261
(5S)-9-[(6-chloro-3-pyridinyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95718054
9-[(4-methylnaphthalen-1-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56873072
9-[(2,4-difluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56868532
9-[[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56868396
(5S)-9-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95713030
(5S)-9-(3-pyrrol-1-ylpropyl)-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95720611
9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56863029
1-[(4-phenylphenyl)methyl]azepan-2-one
CID 141141675
9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56867345
(5R)-9-[(1-ethylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95723902

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[(3-phenylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The IUPAC name of (5R)-9-[(3-phenylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (CID 95719727) is (5R)-9-[(3-phenylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.
What is the SMILES notation for (5R)-9-[(3-phenylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The canonical SMILES for (5R)-9-[(3-phenylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is O=C1CC[C@]2(CCCO2)CCN1Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of (5R)-9-[(3-phenylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The InChIKey is SKMULIPPDKPUJC-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25NO2/c24-21-10-12-22(11-5-15-25-22)13-14-23(21)17-18-6-4-9-20(16-18)19-7-2-1-3-8-19/h1-4,6-9,16H,5,10-15,17H2/t22-/m1/s1.
What are the key properties of (5R)-9-[(3-phenylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
(5R)-9-[(3-phenylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one has a molecular weight of 335.45 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[(3-phenylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is sourced from PubChem (CID 95719727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).