2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone

C22H25NO3 — CID 97394324

IUPAC2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CC[C@@]2(C[C@H](OCc3ccccc3)CO2)C1
InChIInChI=1S/C22H25NO3/c24-21(13-18-7-3-1-4-8-18)23-12-11-22(17-23)14-20(16-26-22)25-15-19-9-5-2-6-10-19/h1-10,20H,11-17H2/t20-,22+/m0/s1
InChIKeyDOJCPLIPUFLHSP-RBBKRZOGSA-N
MW351.45 g/mol
LogP3.21
Rot. Bonds5

About 2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone

2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone (PubChem CID 97394324) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
PubChem CID97394324
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CC[C@@]2(C[C@H](OCc3ccccc3)CO2)C1
InChIInChI=1S/C22H25NO3/c24-21(13-18-7-3-1-4-8-18)23-12-11-22(17-23)14-20(16-26-22)25-15-19-9-5-2-6-10-19/h1-10,20H,11-17H2/t20-,22+/m0/s1
InChIKeyDOJCPLIPUFLHSP-RBBKRZOGSA-N
XLogP3.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone with MolForge

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Related Compounds

N-methyl-2-[[(3R,5R)-7-(2-phenylacetyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]acetamide
CID 97394281
1-[(3R,5S)-3-(pyridin-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-thiophen-2-ylethanone
CID 97420030
2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 91918074
phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418986
(1-methylindazol-3-yl)-[(3R,5R)-3-phenylmethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97488853
[(3S,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrimidin-2-ylmethanone
CID 97477576
2-(1,3-benzodioxol-5-yl)-1-[(3S,5S)-3-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 97419807
8-(2-methoxyethyl)-3-phenylmethoxy-1-oxa-8-azaspiro[4.5]decane
CID 134074923
2-(dimethylamino)-1-[3-(pyridin-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 131641585
2-methoxy-1-[(3S,5R)-3-[(6-methyl-2-pyridinyl)methoxy]-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 125223389
(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
CID 91918097
pyridin-3-yl-[(3S)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418982

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?
The IUPAC name of 2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone (CID 97394324) is 2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone is O=C(Cc1ccccc1)N1CC[C@@]2(C[C@H](OCc3ccccc3)CO2)C1.
What is the InChIKey of 2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?
The InChIKey is DOJCPLIPUFLHSP-RBBKRZOGSA-N. The full InChI is InChI=1S/C22H25NO3/c24-21(13-18-7-3-1-4-8-18)23-12-11-22(17-23)14-20(16-26-22)25-15-19-9-5-2-6-10-19/h1-10,20H,11-17H2/t20-,22+/m0/s1.
What are the key properties of 2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone?
2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone has a molecular weight of 351.45 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[(3S,5R)-3-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone is sourced from PubChem (CID 97394324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).