2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-phenoxyphenyl)acetamide

C30H35N3O3 — CID 110077683

IUPAC2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(CN1CC[C@@]2(CCCN2CCc2ccccc2)[C@@H](O)C1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C30H35N3O3/c34-28-22-32(21-18-30(28)17-7-19-33(30)20-16-24-8-3-1-4-9-24)23-29(35)31-25-12-14-27(15-13-25)36-26-10-5-2-6-11-26/h1-6,8-15,28,34H,7,16-23H2,(H,31,35)/t28-,30-/m0/s1
InChIKeyOKKWHELVOQJGJG-JDXGNMNLSA-N
MW485.63 g/mol
LogP4.56
Rot. Bonds8

About 2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-phenoxyphenyl)acetamide

2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-phenoxyphenyl)acetamide (PubChem CID 110077683) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is 2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-phenoxyphenyl)acetamide
PubChem CID110077683
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC Name2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(CN1CC[C@@]2(CCCN2CCc2ccccc2)[C@@H](O)C1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C30H35N3O3/c34-28-22-32(21-18-30(28)17-7-19-33(30)20-16-24-8-3-1-4-9-24)23-29(35)31-25-12-14-27(15-13-25)36-26-10-5-2-6-11-26/h1-6,8-15,28,34H,7,16-23H2,(H,31,35)/t28-,30-/m0/s1
InChIKeyOKKWHELVOQJGJG-JDXGNMNLSA-N
XLogP4.56
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 110166571
2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-chlorophenyl)acetamide
CID 110162127
N-[2-(difluoromethoxy)phenyl]-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 110162152
N-(5-fluoro-2-methylphenyl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 110162119
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 155988682
2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 110162141
2-[(5S,6S)-1-benzyl-6-hydroxy-1,8-diazaspiro[4.5]decan-8-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 110166578
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
2-ethoxy-1-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 110155675
(3aS,6aR)-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120681616
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
N-(4-methoxyphenyl)-2-[1-oxo-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-7-yl]acetamide
CID 175645180

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-phenoxyphenyl)acetamide (CID 110077683) is 2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-phenoxyphenyl)acetamide is O=C(CN1CC[C@@]2(CCCN2CCc2ccccc2)[C@@H](O)C1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is OKKWHELVOQJGJG-JDXGNMNLSA-N. The full InChI is InChI=1S/C30H35N3O3/c34-28-22-32(21-18-30(28)17-7-19-33(30)20-16-24-8-3-1-4-9-24)23-29(35)31-25-12-14-27(15-13-25)36-26-10-5-2-6-11-26/h1-6,8-15,28,34H,7,16-23H2,(H,31,35)/t28-,30-/m0/s1.
What are the key properties of 2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-phenoxyphenyl)acetamide?
2-[(5S,6S)-6-hydroxy-1-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 485.63 g/mol, XLogP of 4.56, 8 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-(2-phenylethyl)-1,8-diazaspiro[4.5]decan-8-yl]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 110077683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).