2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(4-phenylmethoxyphenyl)acetamide

C23H28N2O4 — CID 110167176

IUPAC2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(CN1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H28N2O4/c26-21-11-13-25(17-23(21)12-4-14-29-23)15-22(27)24-19-7-9-20(10-8-19)28-16-18-5-2-1-3-6-18/h1-3,5-10,21,26H,4,11-17H2,(H,24,27)/t21-,23-/m0/s1
InChIKeyOOBQQGMUCGVQHE-GMAHTHKFSA-N
MW396.49 g/mol
LogP2.82
Rot. Bonds6

About 2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(4-phenylmethoxyphenyl)acetamide

2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 110167176) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID110167176
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(CN1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H28N2O4/c26-21-11-13-25(17-23(21)12-4-14-29-23)15-22(27)24-19-7-9-20(10-8-19)28-16-18-5-2-1-3-6-18/h1-3,5-10,21,26H,4,11-17H2,(H,24,27)/t21-,23-/m0/s1
InChIKeyOOBQQGMUCGVQHE-GMAHTHKFSA-N
XLogP2.82
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 110167206
N-[4-(difluoromethoxy)phenyl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
CID 110167128
2-(4-aminopiperidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119907132
2-[(5R,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 129455371
N-[4-(difluoromethoxy)phenyl]-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125025487
N-[4-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125025484
N-(3-fluoro-4-methylphenyl)-2-[(5R,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 124988131
2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 129453967
2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 175656938
2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119905944
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 4857041
2-[(1R,5S)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 166251748

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(4-phenylmethoxyphenyl)acetamide (CID 110167176) is 2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(4-phenylmethoxyphenyl)acetamide is O=C(CN1CC[C@H](O)[C@]2(CCCO2)C1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is OOBQQGMUCGVQHE-GMAHTHKFSA-N. The full InChI is InChI=1S/C23H28N2O4/c26-21-11-13-25(17-23(21)12-4-14-29-23)15-22(27)24-19-7-9-20(10-8-19)28-16-18-5-2-1-3-6-18/h1-3,5-10,21,26H,4,11-17H2,(H,24,27)/t21-,23-/m0/s1.
What are the key properties of 2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(4-phenylmethoxyphenyl)acetamide?
2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 396.49 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 110167176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).